Hall of fame

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Introduction

There is no obligation to reference/cite Euler if you use it for work that is published in a scientific journal. If you did some cool science using the Euler cluster and mention this in your publication (for instance in the acknowledgment section), then please also send an email to cluster support with the reference to your publication, so we can add it to this wiki page.

Referencing Euler

If you are using Euler as a guest user, we kindly ask you to acknowledge this in your publications (acknowledgment section). This will help us keep Euler open to all members of ETH, as the cluster's public share is financed by the (limited) budget of Scientific IT Services.

There is no standard sentence how Euler should be cited, but please find below some examples from publications from this list:

  • "The numerical simulations were performed on the Euler cluster operated by the High Performance Computing group at ETH Zürich."
  • "Numerical simulations were performed on the ETH Zürich Euler cluster"
  • "The calculations were run on the Euler cluster of ETH Zürich"
  • "The simulations were performed on the ETH Euler cluster"
  • "All simulations were performed on the ETH-Zürich Euler cluster"
  • "Calculations were carried out on the ETH Euler cluster"

Summary

The summary lists the total number of scientific publications that reference the HPC clusters (Euler, Leonhard, Brutus) or the HPC group since 2008. Publications that are referencing more than one cluster are only counted once.

Articles in scientific journals Theses Total
880 260 1140

Please find below graphs showing the number of journal articles per year for each cluster and the number of theses per year.

Euler: Leonhard Open: Brutus:
HPC team (no cluster specified): Total (journal articles):

Publications referencing the Euler cluster (2014-now) sorted by year

2022

  • Balázs, A., Faccenna, C., Gerya, T., Ueda, K., Funiciello, F., The Dynamics of Forearc – Back-Arc Basin Subsidence Numerical Models and Observations From Mediterranean Subduction Zones, Tectonics, 41, e2021TC007078, (2022), https://doi.org/10.1029/2021TC007078
  • Barros, M., Walker, A., Stanković, T., Computational Design of an Additively Manufactured Origami-Based Hand Orthosis, Proc. Design Soc., 2, (2022), 1231-1242, https://doi.org/10.1017/pds.2022.125
  • Baumann, K.B.L, Thoma, R., Callbeck, C.M., Niederdorfer, R., Schuber, C.J., Müller, B., Lever, M.A., Bürgmann, H., Microbial Nitrogen Transformation Potential in Sediments of Two Contrasting Lakes Is Spatially Structured but Seasonally Stable, mSphere, 7(1), e01013-21, (2022), https://doi.org/10.1128/msphere.01013-21
  • Bhowal, S., O'Neill D., Fechner, M., Spaldin, N.A., Staub, U., Duffy, J., Collins, S.P., Anti-symmetric Compton Scattering in LiNiPO4: Towards a Direct Probe of the Magneto-Electric Multipole Moment, Open Res. Europe, 1, 132, (2022), https://doi.org/10.12688/openreseurope.13863.2
  • Bissig, F., Khan, A., Giardini, D., Evidence for Basalt Enrichment in the Mantle Transition Zone from Inversion of Triplicated P- and S-Waveforms, Earth Planet. Sci. Lett., 580, 117387, (2022), https://doi.org/10.1016/j.epsl.2022.117387
  • Bortis, A., Trassin, M., Fiebig, M., Lottermoser, Th., Manipulation of Charged Domain Walls in Geometric Improper Ferroelectric Thin Films: A Phase-Field Study, Phys. Rev. Mat., 6, 064403, (2022), https://doi.org/10.1103/PhysRevMaterials.6.064403
  • Cujia, K.S., Herb, K., Zopes, J., Abendroth, J.M., Degen, C.L., Parallel Detection and Spatial Mapping of Large Nuclear Spin Clusters, Nat. Commun., 13, 1260, (2022), https://doi.org/10.1038/s41467-022-28935-z
  • Dal Zilio, L., Lapusta, N., Avouac, J.-Ph., Gerya, T., Subduction Earthquake Sequences in a Non-Linear Visco-Elasto-Plastic Megathrust, Geophys. J. Int., 229, (2022), 1098-1121, https://doi.org/10.1093/gji/ggab521
  • Debnath, J., Parrinello, M., Computing Rates and Understanding Unbinding Mechanisms in Host–Guest Systems, J. Chem. Theory Comput., 18(3), (2022), 1314-1319, https://doi.org/10.1021/acs.jctc.1c01075
  • Delli Compagni, R., Cheng, Zh., Russo, S., Van Boeckel, T.P., A Hybrid Neural Network-SEIR Model for Forecasting Intensive Care Occupancy in Switzerland During COVID-19 Epidemics, PLoS ONE, 17(3), e0263789, (2022), https://doi.org/10.1371/journal.pone.0263789
  • Desmet, F., Gruber, N., Köhn, E.E., Münnich, M., Vogt, M., Tracking the Space-Time Evolution of Ocean Acidification Extremes in the California Current System and Northeast Pacific, J. Geophys. Res. Oceans, 127, e2021JC018159, (2022), https://doi.org/10.1029/2021JC018159
  • Eyring, N., Kittner, N., High-Resolution Electricity Generation Model Demonstrates Suitability of High-Altitude Floating Solar Power, iScience, 25(6), 104394, (2022), https://doi.org/10.1016/j.isci.2022.104394
  • Fei, F., Jenny, P., A High-Order Unified Stochastic Particle Method Based on the Bhatnagar-Gross-Krook Model for Multi-Scale Gas Flows, Comput. Phys. Commun., 274, 108303, (2022), https://doi.org/10.1016/j.cpc.2022.108303
  • Fluri, J., Kacprzak, T., Lucchi, A., Schneider, A., Refregier, A., Hofmann, Th., Full w CDM Analysis of KiDS-1000 Weak Lensing Maps Using Deep Learning, Phys. Rev. D, 105, 083518, (2022), https://doi.org/10.1103/PhysRevD.105.083518
  • Gadeyne, T., Zhang, P., Schild, A., Wörner, H.J., Low-Energy Electron Distributions from the Photoionization of Liquid Water: a Sensitive Test of Electron Mean Free Paths, Chem. Sci., 13, (2022), 1675-1692, https://doi.org/10.1039/D1SC06741A
  • Gerken, L.R.H., Gogos, A., Starsich, F.H.L., David, H., Gerdes, M.E., Schiefer, H., Psoroulas, S., Meer, D., Plasswilmk, L., Weber, D.C., Herrmann, I.K., Catalytic Activity Imperative for Nanoparticle Dose Enhancement in Photon and Proton Therapy, Nat. Commun., 13, 3248, (2022), https://doi.org/10.1038/s41467-022-30982-5
  • Gjorgiev, B., David, A.E., Sansavini, G., Cascade-Risk-Informed Transmission Expansion Planning of AC Electric Power Systems, Electr. Pow. Syst. Res., 204, 107685, (2022), https://doi.org/10.1016/j.epsr.2021.107685
  • Gjorgiev, B., Garrison, J.B., Han, X., Landis, F., van Nieuwkoop, R., Raycheva, E., Schwarz, M., Yan, X., Demiray, T., Hug, G., Sansavini, G., Schaffner, Ch., Nexus-e: A Platform of Interfaced High-Resolution Models for Energy-Economic Assessments of Future Electricity Systems, Appl. Energ., 307, 118193, (2022), https://doi.org/10.1016/j.apenergy.2021.118193
  • Gjorgiev, B., Sansavini, G., Identifying and Assessing Power System Vulnerabilities to Transmission Asset Outages via Cascading Failure Analysis, Reliab. Eng. Syst. Safe., 217, 108085, https://doi.org/10.1016/j.ress.2021.108085
  • Gschwendtner, Ch., Krauss, K., Coupling Transport and Electricity: How Can Vehicle-To-Grid Boost the Attractiveness of Carsharing?, Transport. Res. D, 106, 103261, (2022), https://doi.org/10.1016/j.trd.2022.103261
  • Jain, Sh., Haller, G., How to Compute Invariant Manifolds and Their Reduced Dynamics in High-Dimensional Finite Element Models, Nonlinear Dyn., 107, (2022), 1417-1450, https://doi.org/10.1007/s11071-021-06957-4
  • Kagho, G.O., Meli, J., Walser, D., Balac, M., Effects of Population Sampling on Agent-Based Transport Simulation of On-Demand Services, Procedia Comput. Sci., 201, (2022), 305-312, https://doi.org/10.1016/j.procs.2022.03.041
  • Karagodin, A., Rozanov, E., Mironova, I., On the Possibility of Modeling the IMF By-Weather Coupling through GEC-Related Effects on Cloud Droplet Coalescence Rate, Atmosphere, 13(6), 881, (2022), https://doi.org/10.3390/atmos13060881
  • Kim, D., Efe, I., Torlakcik, H., Terzopoulou, A., Veciana, A., Siringil, E., Mushtaq, F., Franco, C., von Arx, D., Sevim, S., Puigmarti-Luis, J., Nelson, B., Spaldin, N.A., Gattinoni, Ch., Chen, X.-Zh., Pané, S., Magnetoelectric Effect in Hydrogen Harvesting: Magnetic Field as a Trigger of Catalytic Reactions, Adv. Mater., 2022, 2110612, (2022), https://doi.org/10.1002/adma.202110612
  • Krauss, K., Krail, M., Axhausen, K.W., What Drives the Utility of Shared Transport Services for Urban Travellers? A Stated Preference Survey in German Cities, Travel, behaviour & society, 26, (2022), 206-220, https://doi.org/10.1016/j.tbs.2021.09.010
  • Kummer, Th., Rossi, S., Vandenberghe, S., Demertzis, S., Jenny, P., Embedded Computational Heart Model for External Ventricular Assist Device Investigations, Cardiovasc. Eng. Tech., 2022, https://doi.org/10.1007/s13239-022-00610-w
  • Lefebure, N., Khosravi, M., Badyn, M.H., Bünning, F., Lygeros, J., Jones, C., Smith, R.S., Distributed Model Predictive Control of Buildings and Energy Hubs, Energ. Buildings, 259, 111806, (2022), https://doi.org/10.1016/j.enbuild.2021.111806
  • Liu, M., Gerya, T., Rozel, A.B., Self-Organization of Magma Supply Controls Crustal Thickness Variation and Tectonic Pattern Along Melt-Poor Mid-Ocean Ridges, Earth Planet. Sci. Lett., 584, 117482, (2022), https://doi.org/10.1016/j.epsl.2022.117482
  • Lori, M., Armengot, L., Schneider, M., Schneidewind, U., Bodenhausen, N., Mäder, P., Krause, H.-M., Organic Management Enhances Soil Quality and Drives Microbial Community Diversity in Cocoa Production Systems, Sci. Total Environ., 834, 155223, (2022), https://doi.org/10.1016/j.scitotenv.2022.155223
  • Lovecchio, E., Gruber, N., Münnich, M., Frenger, I., On the Processes Sustaining Biological Production in the Offshore Propagating Eddies of the Northern Canary Upwelling System, J. Geophys. Res. Oceans, 127, e2021JC017691, (2022), https://doi.org/10.1029/2021JC017691
  • Mittelviefhaus, M., Georges, G., Boulouchos, K., Electrification of Multi-Energy Hubs Under Limited Electricity Supply: De-/Centralized Investment and Operation for Cost-Effective Greenhouse Gas Mitigation, Adv. Appl. Energ., 5, 100083, (2022), https://doi.org/10.1016/j.adapen.2022.100083
  • Munch, J., Ueada, K., Schnydrig, St., May, D.A., Gerya, T., Contrasting Influence of Sediments vs Surface Processes on Retreating Subduction Zones Dynamics, Tectonophysics, 836, 229410, https://doi.org/10.1016/j.tecto.2022.229410
  • Narayanan, H., Cruz Bournazou, M.N., Gosálbez, G.G., Butté, A., Functional-Hybrid Modeling through Automated Adaptive Symbolic Regression for Interpretable Mathematical Expressions, Chem. Eng. J., 430, 133032, (2022), https://doi.org/10.1016/j.cej.2021.133032
  • Niederdorfer, R., Fragner, L., Yuan, L., Hausherr, D., Wei, J., Magyar, P., Joss, A., Lehmann, M.F., Ju, F., Bürgmann, H., Distinct Growth Stages Controlled by the Interplay of Deterministic and Stochastic Processes in Functional Anammox Biofilms, Water Res., 200, 117225, (2021), https://doi.org/10.1016/j.watres.2021.117225
  • Petkov, I., Mavromatidis, G., Knoeri, Ch., Allan, J., Hoffmann, V.H., Mangoret: An Optimization Framework for the Long-Term Investment Planning of Building Multi-Energy System and Envelope Retrofits, Appl. Energ., 314, 118901, (2022), https://doi.org/10.1016/j.apenergy.2022.118901
  • Ries, B., Normak, K., Weiss, R.G., Rieder, S., Barros, E.P., Champion, C., König, G., Riniker, S., Relative Free-Energy Calculations for Scaffold Hopping-Type Transformations with an Automated RE-EDS Sampling Procedure, J. Comput. Aided Mol. Des., 36, (2022), 117-130, https://doi.org/10.1007/s10822-021-00436-z
    (article does not explicitly mention the Euler cluster but the author B. Ries informed us that the cluster was used for this work)
  • Ries, B., Rieder, S., Rhiner, C., Hünenberger, Ph.H., Riniker, S., RestraintMaker: A Graph-Based Approach to Select Distance Restraints in Free-Energy Calculations with Dual Topology,J. Comput. Aided Mol. Des., (2022), https://doi.org/10.1007/s10822-022-00445-6
    (article does not explicitly mention the Euler cluster but the author B. Ries informed us that the cluster was used for this work)
  • Rosa-Medina, R., Ferri, F., Finger, F., Dogra, N., Kroeger, K., Lin, R., Chitra, R., Donner, T., Esslinger, T., Observing Dynamical Currents in a Non-Hermitian Momentum Lattice, Phys. Rev. Lett., 128, 143602, (2022), https://doi.org/10.1103/PhysRevLett.128.143602
  • Sabia, C., Buffo, A., Casalini, T., Marchisio, D.L., Barbato, M.C., Storti, G., FBR for Polyolefin Production in Gas Phase: Validation of a Two-Phase Compartmentalized Model by Comparison with CFD, Macromol. React. Eng., 2022, 2100058, (2022), https://doi.org/10.1002/mren.202100058
  • Sayed, M.A., Dehbi, A., Niceno, B., Mikityuk, K., Particle Subgrid Scale Modeling in Hybrid RANS/LES of Turbulent Channel Flow at Low to Moderate Reynolds Number, Powder Technol., 397, 117013, (2022), https://doi.org/10.1016/j.powtec.2021.11.057
  • Schemm, S., Papritz, L., Rivière, G., Storm Track Response to Uniform Global Warming Downstream of an Idealized Sea Surface Temperature Front, Weather Clim. Dynam., 3, (2022), 601-623, https://doi.org/10.5194/wcd-3-601-2022
  • Schmid, B., Becker, F., Molloy, J., Axhausen, K., Lüdering, J., Hagen, J., Blome, A., Modeling Train Route Decisions During Track Works, J. Rail Transp. Plan. Manag., 22, 100320, (2022), https://doi.org/10.1016/j.jrtpm.2022.100320
  • Szulágyi, J., Binkert, F., Surville, C., Meridional Circulation of Dust and Gas in the Circumstellar Disk: Delivery of Solids onto the Circumplanetary Region, ApJ, 924, 1, (2022), https://doi.org/10.3847/1538-4357/ac32d1
  • Tagliavini, G., Khan, M.H., McCorquodale, M., Westbrook, Ch., Holzner, M., Wake Characteristics of Complex-Shaped Snow Particles: Comparison of Numerical Simulations With Fixed Snowflakes to Time-Resolved Particle Tracking Velocimetry Experiments With Free-Falling Analogs, Phys. Fluids, 34, 055112, (2022), https://doi.org/10.1063/5.0089759
  • Thürlemann, M., Böselt, L., Riniker, S., Learning Atomic Multipoles: Prediction of the Electrostatic Potential with Equivariant Graph Neural Networks, J. Chem. Theory Comput., 18(3), (2022), 1701-1710, https://doi.org/10.1021/acs.jctc.1c01021
  • Yang, M., Bonati, L., Polino, D., Parrinello, M., Using Metadynamics to Build Neural Network Potentials for Reactive Events: The Case of Urea Decomposition in Water, Catal. Today,387, (2022), 143-149, https://doi.org/10.1016/j.cattod.2021.03.018
  • Yakimov, A.V., Ravi, M., Verel, R., Sushkevich, V.L., van Bokhoven, J.A., Copéret, Ch., Structure and Framework Association of Lewis Acid Sites in MOR Zeolite, J. Am. Chem. Soc., 144, (2022), 10377-10385, https://doi.org/10.1021/jacs.2c02212

2021

  • Andrienko, G., Andrienko, N., Boldrini, Ch., Caldarelli, G., Cintia, P., Cresci, S., FAcchini, A., Giannotti, F., Gionis, A., Guidotti, R., Mathioudakis, M., Muntean, C.I., Pappalardo, L., Pendreschi, D., Purnaras, E., Pratesi, F., Tesconi, M., Trasarti, R., (So) Big Data and the Transformation of the City, Int. J. Data Sc. Anal., 11, (2021), 311-340, https://doi.org/10.1007/s41060-020-00207-3
  • Balázs, A., Faccenna, C., Ueda, K., Funiciello, F., Boutoux, A., Blanc, E. J.-P., Gerya, T., Oblique Subduction and Mantle Flow Control on Upper Plate Deformation: 3D Geodynamic Modeling, Earth Planet. Sci. Lett., 569, 117056, (2021), https://doi.org/10.1016/j.epsl.2021.117056
  • Bhowal, S., O'Neill, D., Fechner, M., Spaldin, N.A., Staub, U., Duffy, J., Collins, S.P., Anti-Symmetric Compton Scattering in LiNiPO4: Towards a Direct Probe of the Magneto-Electric Multipole Moment, Open Res. Europe, 2021, 1:134, (2021), https://doi.org/10.12688/openreseurope.13863.2
  • Bindeman, I.N., Colón, D.P., Wotzlaw, J.-F., Stern, R., Chiaradia, M., Guillong, M., Young Silicic Magmatism of the Greater Caucasus, Russia, with Implication for Its Delamination Origin Based on Zircon Petrochronology and Thermomechanical Modeling, J. Volcanol. Geoth. Res., 412, 107173, (2021), https://doi.org/10.1016/j.jvolgeores.2021.107173
  • Bissig, F., Khan, A., Tauzin, B., Sossi, P.A., Munch, F.D., Giardini, D., Multifrequency Inversion of Ps and Sp Receiver Functions: Methodology and Application to USArray Data, J. Geophys. Res. Sol. Ea., 126, e2020JB020350, (2021), https://doi.org/10.1029/2020JB020350
  • Bjelobrk, Z., Mendels, D., Karmakar, T., Parrinello, M., Mazzotti, M., Solubility Prediction of Organic Molecules with Molecular Dynamics Simulations, Cryst. Growth Des., 21, (2021), 5198-5205, https://doi.org/10.1021/acs.cgd.1c00546
  • Bonino, G., Lovecchio, E., Gruber, N., Münnich, M., Masina, S., Drivers and Impact of the Seasonal Variability of the Organic Carbon Offshore Transport in the Canary Upwelling System, Biogeosciences, 18, (2021), 2429-2448, https://doi.org/10.5194/bg-18-2429-2021
  • Brodowski, C., Sukhodolov, T., Feinberg, A., Höpfner, M., Peter, T., Stenke, A., Rozanov, E., Modeling the Sulfate Aerosol Evolution After Recent Moderate Volcanic Activity, 2008–2012, J. Geophys. Res. Atmos., 126, e2021JD035472, (2021), https://doi.org/10.1029/2021JD035472
  • Chalifour, A., Walser, J.-C., Pomati, F., Fenner, K., Temperature, Phytoplankton Density and Bacteria Diversity Drive the Biotransformation of Micropollutants in a Lake Ecosystem, Water Res., 202, 117412, (2021), https://doi.org/10.1016/j.watres.2021.117412
  • Comeau, Ch., Ries, B., Stadelmann, Th., Tremblay, J., Poulet, S., Fröhlich, U., Côté, J., Boudreault, P.-L., Derbali, R.M., Sarret, Ph., Grandbois, M., Leclair, G., Riniker, S., Marsault, E., Modulation of the Passive Permeability of Semipeptidic Macrocycles: N- and C-Methylations Fine-Tune Conformation and Properties, J. Med. Chem., 64, (2021), 5365-5383, https://doi.org/10.1021/acs.jmedchem.0c02036
    (article does not explicitly mention the Euler cluster but the author B. Ries informed us that the cluster was used for this work)
  • Cooper, A., Turney, C.S.M., Palmer, J., Hogg, A., McGlone, M., Wilmshurst, J., Lorry, A.M., Heaton, T.J., Russell, J.M., McCracken, K., Anet, J.G., Rozanov, E., Friedel, M., Suter, I., Peter, Th., Muscheler, R., Adolphi, F., Dosseto, A., Faith, J.T., Fenwick, P., Fogwill, Ch.J., Hughen, K., Lipson, M., Liu, J., Nowaczyk, N., Rainsley, E., Ramsey, Ch.B., Sebastianelli, P., Souilmi, Y., Stevenson, J., Thomas, Z., Tobler, R., Zech, R., A Global Environmental Crisis 42,000 Years Ago, Science, 371, (2021), 811-818, https://doi.org/10.1126/science.abb8677
  • Do, C.-T., Manjaly, Z.-M., Heinzle, J., Schöbi, D., Kasper, L., Pruessmann, K.P., Stephan, K.E., Frässle, S., Hemodynamic Modeling of Long-Term Aspirin Effects on Blood Oxygenated Level Dependent Responses at 7 Tesla in Patients at Cardiovascular Risk, Eur. J. Neurosci., 53(4), (2021), 1262-1278, https://doi.org/10.1111/ejn.14970
  • Economides, A., Arampatzis, G., Alexeev, D., Litvinov, S., Amoudruz, L., Kulakova, L., Papadimitriou, C., Koumoutsakos, P., Hierarchical Bayesian Uncertainty Quantification for a Model of the Red Blood Cell, Phys. Rev. Applied, 15, 034062, (2021), https://doi.org/10.1103/PhysRevApplied.15.034062
  • Efe, I., Spaldin, N.A., Gattinoni, C., On the Happiness of Ferroelectric Surfaces and Its Role in Water Dissociation: The Example of Bismuth Ferrite, J. Chem. Phys., 154, 024702, (2021), https://doi.org/10.1063/5.0033897
  • Fei, F., Jenny, P., A Hybrid Particle Approach Based on the Unified Stochastic Particle Bhatnagar-Gross-Krook and DSMC Methods, J. Comput. Phys., 424, 109858, (2021), https://doi.org/10.1016/j.jcp.2020.109858
  • Frässle, S., Harrison, S.J., Heinzle, J., Clementz, B.A., Tamminga, C.A., Sweeney, J.A., Gershon, E.S., Keshavan, M.S., Pearlson, G.D., Powers, A., Stephan, K.E., Regression Dynamic Causal Modeling for Resting-State fMRI, Hum. Brain Mapp., 42(7), (2021), 2159-2180, https://doi.org/10.1002/hbm.25357
  • Gath-Morad, M., Thrash, T., Schicker, J., Hölscher, Ch., Helbing, D., Aguilar Melgar, L.E., Visibility Matters During Wayfinding in the Vertical, Sci. Rep., 11, 18980, (2021), https://doi.org/10.1038/s41598-021-98439-1
  • Gerick, F., Jault, D., Noir, J., Fast Quasi-Geostrophic Magneto-Coriolis Modes in the Earth's Core, Geophys. Res. Lett., 48, e2020GL090803, (2021), https://doi.org/10.1029/2020GL090803
  • Gessner, C., Fischer, E.M., Beyerle, U., Knutti, R., Very Rare Heat Extremes: Quantifying and Understanding Using Ensemble Reinitialization, J. Climate, 34(16), (2021), 6619-6634, https://doi.org/10.1175/JCLI-D-20-0916.1
  • Giraldo, M., Meier, Q.N., Bortis, A., Nowak, D., Spaldin, N.A., Fiebig, M., Weber, M.C., Lottermoser, T., Magnetoelectric Coupling of Domains, Domain Walls and Vortices in a Multiferroic with Independent Magnetic and Electric Order, Nat. Commun, 12, 3093, (2021), https://doi.org/10.1038/s41467-021-22587-1
  • Gruber, W., Niederdorfer, R., Ringwald, J., Morgenroth, E., Bürgmann, H., Joss, A., Linking Seasonal N2O Emissions and Nitrification Failures to Microbial Dynamics in a SBR Wastewater Treatment Plant, Water Res. X, 11, 100098, (2021), https://doi.org/10.1016/j.wroa.2021.100098
  • Gülcher, A.J.P., Ballmer, M.D., Tackley, P.J., Coupled Dynamics and Evolution of Primordial and Recycled Heterogeneity in Earth's Lower Mantle, Solid Earth, 12, (2021), 2087-2107, https://doi.org/10.5194/se-12-2087-2021
  • Gupta, A., Schwab, Ch., Khammash, M., DeepCME: A Deep Learning Framework for Computing Solution Statistics of the Chemical Master Equation, PLoS Comput. Biol., 17(12), e1009623, (2021), https://doi.org/10.1371/journal.pcbi.1009623
  • Heilmann, M., Knezevic, M., Piccini, G.M., Tiefenbacher, K., Understanding the Binding Properties of Phosphorylated Glycoluril-Derived Molecular Tweezers and Selective Nanomolar Binding of Natural Polyamines in Aqueous Solution, Org. Biomol. Chem., 19, (2021), 3628-3633, https://doi.org/10.1039/D1OB00379H
  • Herrmann, L., Keller, M., Schwab, C., Quasi-Monte Carlo Bayesian Estimation Under Besov Priors in Elliptic Inverse Problems, Math. Comp., 90, (2021), 1831-1860, https://doi.org/10.1090/mcom/3615
  • Kaech, H., Dennis, A.B., Vorburger, Ch., Triple RNA-Seq Characterizes Aphid Gene Expression in Response to Infection With Unequally Virulent Strains of the Endosymbiont Hamiltonella defensa, BMC Genomics, 22, 449, (2021), https://doi.org/10.1186/s12864-021-07742-8
  • Karagodin-Doyennel, A., Rozanov, Sukhodolov, T., Egorova, T., Saiz-Lopez, A., Cuevas, C.A., Fernandez, R.P., Sherwen, T., Volkamer, R., Koenig, T.K., Giroud, T., Peter, Th., Iodine Chemistry in the Chemistry–Climate Model SOCOL-AERv2-I, Geosci. Model Dev., 14, (2021), 6623-6645, https://doi.org/10.5194/gmd-14-6623-2021
  • Karagodin-Doyennel, A., Rozanov, E., Kuchar, A., Ball, W., Arsenovic, P., Remsberg, E., Jöckel, P., Kunze, M., Plummer, D.A., Stenke, A., Marsh, D., Kinnison, D., Peter, Th., The Response of Mesospheric H2O and CO to Solar Irradiance Variability in Models and Observations, Atmos. Chem. Phys., 21, (2021), 201-216, https://doi.org/10.5194/acp-21-201-2021
  • Keskinen, K., Vera-Tudela, W., Wright, Y.M., Boulouchos, K., Experimental Investigation of Wall Heat Transfer Due to Spray Combustion in a High-Pressure/high-Temperature Vessel, Int. J. Engine Res., 22(12), (2021), 3489-3502, https://doi.org/10.1177/14680874211007232
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  • Piluski, M., Shiroka, T., Casola, F., Reyes, A.P., Kuhns, Ph.L., Wang, Sh., Ott, H.-R., Mesot, J., Two Coupled Chains Are Simpler Than One: Field-Induced Chirality in a Frustrated Spin Ladder, Sci. Rep., 10, 15862, (2020), https://doi.org/10.1038/s41598-020-72215-z
  • Preuss, S., Ampuero, J.P., Gerya, T., van Dinther, Y., Characteristics of Earthquake Ruptures and Dynamic Off-Fault Deformation on Propagating Faults, Solid Earth, 11, (2020), 1333-1360, https://doi.org/10.5194/se-11-1333-2020
  • Rellstab, Ch., Zoller, S., Sailer, Ch., Tedder, A., Gugerli, F., Shimizu, K.K., Holderegger, R., Widmer, A., Fischer, M.C., Genomic Signatures of Convergent Adaptation to Alpine Environments in Three Brassicaceae Species, Mol. Ecol., 29(22), (2020), 4350-4365, https://doi.org/10.1111/mec.15648
  • Rüdisser, S., Goldberg, N., Ebert, M.-O., Kovacs, H., Gossert, A.D., Efficient Affinity Ranking of Fluorinated Ligands by 19F NMR: CSAR and FastCSAR, J. Biomol. NMR, 74, (2020), 579-594, https://doi.org/10.1007/s10858-020-00325-x
  • Sakellarakis, V.D., Vera-Tudela, W., Doll, U., Ebi, D., Wright, Y.M., Boulouchos, K., The Effect of High-Pressure Injection Variations on the Mixing State of Underexpanded Methane Jets, Int. J. Engine Res., 22(9), (2020), 2900-2918, https://doi.org/10.1177/1468087420960895
  • Sanan, P., May, D.A., Bollhöfer, M., Schenk, O., Pragmatic Solvers for 3D Stokes and Elasticity Problems with Heterogeneous Coefficients: Evaluating Modern Incomplete LDLT Preconditioners, Solid Earth, 11, (2020), https://doi.org/10.5194/se-11-2031-2020
  • Schultheiss, J., Schaab, J., Småbråten, D.R., Skjærvø, S.H., Bourret, E., Yan, Z., Selbach, S.M., Meier, D., Intrinsic and Extrinsic Conduction Contributions at Nominally Neutral Domain Walls in Hexagonal Manganites, Appl. Phys. Lett., 116, 262903, (2020), https://doi.org/10.1063/5.0009185
  • Stegmann, J., Capelo, P.R., Bortola, E., Mayer, L., Improved Constraints from Ultra-Faint Dwarf Galaxies on Primordial Black Holes as Dark Matter, MNRAS, 492, (2020), 5247-5260, https://doi.org/10.1093/mnras/staa170
  • Tröndle, T., Lilliestam, J., Marelli, S., Pfenninger, S., Trade-offs between geographic scale, cost, and infrastructure requirements for fully renewable electricity in Europe, Joule, 4(9), (2020), 1929–1948, https://doi.org/10.1016/j.joule.2020.07.018
    (article does not explicitly mention the Euler cluster but the author T. Tröndle informed us that the cluster was intensively used for this work)
  • Tröndle, T., Supply-side options to reduce land requirements of fully renewable electricity in Europe, PLoS ONE, 15(8), e0236958, (2020), https://doi.org/10.1371/journal.pone.0236958
    (article does not explicitly mention the Euler cluster but the author T. Tröndle informed us that the cluster was intensively used for this work)
  • Tsimouri, I.Ch., Schwarz, F., Caseri, W., Hine, P.J., Gusev, A.A., Comparative Experimental and Molecular Simulation Study of the Entropic Viscoelasticity of End-Linked Polymer Networks, Macromolecules, 53(13), (2020), 5371-5380, https://doi.org/10.1021/acs.macromol.0c00972
  • Valcamonico, D., Sansavini, G., Zio, E., Cooperative Co-Evolutionary Approach to Optimize Recovery for Improving Resilience in Multi-Communities, Reliab. Eng. Syst. Safe., 197, 106800, (2020), https://doi.org/10.1016/j.ress.2020.106800
  • Yan, J., Ballmer, M.D., Tackley, P.J., The Evolution and Distribution of Recycled Oceanic Crust in the Earth's Mantle: Insight from Geodynamic Models, Earth Planet. Sci. Lett., 537, 116171, (2020), https://doi.org/10.1016/j.epsl.2020.116171
  • Zhang, X., Schneider, T., Kaul, C.M., Sensitivity of Idealized Mixed-Phase Stratocumulus to Climate Perturbations, Q. J. Roy. Meteor. Soc., 146, (2020), 3285-3305, https://doi.org/10.1002/qj.3846

2019

  • Ams, M.R., Trapp, N., Schwab, A., Milić, Diederich, F., Chalcogen Bonding“2S–2N Squares”versus CompetingInteractions:Exploring the Recognition Properties of Sulfur, Chem. Eur. J., 25, (2019), 323-333, https://doi.org/10.1002/chem.201804261
  • Antenucci, A., Crespo del Granado, P., Gjorgiev, B., Sansavini, G., Can Models for Long-Term Decarbonization Policies Guarantee Security of Power Supply? A Perspective from Gas and Power Sector Coupling, Energ. Strateg. Rev., 26, 100410, (2019), https://doi.org/10.1016/j.esr.2019.100410
  • Bakowies, D., Estimating Systematic Error and Uncertainty in Ab Initio Thermochemistry. I. Atomization Energies of Hydrocarbons in the ATOMIC(hc) Protocol, J. Chem. Theory Comput., 15, (2019), 5230-5251, https://doi.org/10.1021/acs.jctc.9b00343
  • Balsara, D.S., Käppeli, R., Von Neumann Stability Analysis of Globally Constraint-Preserving DGTD and PNPM Schemes for the Maxwell Equations Using Multidimensional Riemann Solvers, J. Comput. Phys., 376, (2019), 1108-1137, https://doi.org/10.1016/j.jcp.2018.09.051
  • Baykusuheva, D., Zindel, D., Svoboda, V., Bommeli, E., Ochsner, M., Tehlar, A., Wörner, H.J., Real-Time Probing of Chirality During a Chemical Reaction, PNAS, 116(48), (2019), 23923-23929, https://doi.org/10.1073/pnas.1907189116
  • Beaussier, S.J., Gerya, T.V., Burg, J.-P., Near-Ridge Initiation of Intraoceanic Subduction: Effects of Inheritance in 3D Numerical Models of the Wilson Cycle, Tectonophysics, 763, (2019), 1-13, https://doi.org/10.1016/j.tecto.2019.04.011
  • Bjelobrk, Z., Piaggi, P.M., Weber, T., Karmakar, T., Mazzoti, M., Parrinello, M., Naphthalene Crystal Shape Prediction from Molecular Dynamics Simulations, CrystEngComm, 21, (2019), 3280-3288, https://doi.org/10.1039/C9CE00380K
  • Bodenhausen, N., Somerville, V., Desirò, A., Walser, J.-C., Borghi, L., van der Heijden, M.G.A., Schlaeppi, K., Petunia- and Arabidopsis-Specific Root Microbiota Responses to Phosphate Supplementation, Phytobiomes Journal, 3(2), (2019), 112-124, https://doi.org/10.1094/PBIOMES-12-18-0057-R
  • Bongiorno, G., Bodenhausen, N., Bünemann, E.K., Brussaard, L., Greisen, S., Mäder, P., Quist, C.W., Walser, J.-C., de Goede, R.G.M., Reduced Tillage, But Not Organic Matter Input, Increased Nematode Diversity and Food Web Stability in European Long-Term Field Experiments, Mol. Ecol., 28(22), (2019), 4987-5005, https://doi.org/10.1111/mec.15270
  • Bont, L.G., Maurer, S., Breschan, J.R., Automated Cable Road Layout and Harvesting Planning for Multiple Objectives in Steep Terrain, Forests, 10(8), 687, (2019), https://doi.org/10.3390/f10080687
  • Di Palma, P.R., Guyennon, N., Parmigiani, A., Huber, Ch., Hesse, F., Romano, E., Impact of Synthetic Porous Medium Geometric Properties on Solute Transport Using Direct 3D Pore-Scale Simulations, Geofluids, 2019, 6810467, (2019), https://doi.org/10.1155/2019/6810467
  • Dieleman, J., Muschick, M., Nyingi, W.D., Verschuren, D., Species Integrity and Origin of Oreochromis Hunteri (Pisces: Cichlidae), Endemic to Crater Lake Chala (Kenya–Tanzania), Hydrobiologia, 832, (2019), 269-282, https://doi.org/10.1007/s10750-018-3570-7
  • Drechsler, S., Balog, S., Kilbinger, A.F.M., Casalini, T., The Influence of Substituents on Gelation and Stacking Order of Oligoaramid – Based Supramolecular Networks, Soft Matter., 15, (2019), 7250-7261, https://doi.org/10.1039/C9SM00148D
  • Dürrenberger, P., Gupta, A., Khammash, M., A Finite State Projection Method for Steady-State Sensitivity Analysis of Stochastic Reaction Networks, J. Chem. Phys., 150, 134101, (2019), https://doi.org/10.1063/1.5085271
  • Grosheintz-Laval, L., Käppeli, R., High-Order Well-Balanced Finite Volume Schemes for the Euler Equations with Gravitation, J. Comput. Phys., 378, (2019), 324-343, https://doi.org/10.1016/j.jcp.2018.11.018
  • Grübel, J., Wise, S., Thrash, T., Hölscher, C., A Cognitive Model for Routing in Agent-Based Modelling, AIP Conf. Proc., 2116, 250005, (2019), https://doi.org/10.1063/1.5114245
  • Gülcher, A.J.P., Beaussier, S.J., Gerya, T.V., On the Formation of Oceanic Detachment Faults and Their Influence on Intra-Oceanic Subduction Initiation: 3D Thermomechanical Modeling, Earth Planet. Sci. Lett., 506, (2019), 195-208, https://doi.org/10.1016/j.epsl.2018.10.042
  • Gusev, A.A., Numerical Estimates of the Topological Effects in the Elasticity of Gaussian Polymer Networks and Their Exact Theoretical Description, Macromolecules, 52, (2019), 3244-3251, https://doi.org/10.1021/acs.macromol.9b00262
  • Halabi, E.A., Pinotsi, D., Rivera-Fuentes, P., Photoregulated Fluxional Fluorophores for Live-Cell Super-Resolution Microscopy with No Apparent Photobleaching, Nat. Commun., 10, 1232, (2019), https://doi.org/10.1038/s41467-019-09217-7
  • Hampel, A., Liu, P., Franchini, C., Ederer, C., Energetics of the Coupled Electronic–structural Transition in the Rare-Earth Nickelates, NPJ Quantum Materials, 4(1), (2019), http://dx.doi.org/10.1038/s41535-019-0145-4
  • Herrmann, M., Kraft, T., Tormann, T., Scarabello, L., Wiemer, S., A Consistent High-Resolution Catalog of Induced Seismicity in Basel Based on Matched Filter Detection and Tailored Post-Processing, J. Geophys. Res. Sol. Ea., 124, (2019), 8449-8477, https://doi.org/10.1029/2019JB017468
  • Herrmann, L., Schwab, C., Multilevel Quasi-Monte Carlo Integration with Product Weights for Elliptic PDEs with Lognormal Coefficients, ESAIM: M2AN, 53(5), (2019), 1507-1552, https://doi.org/10.1051/m2an/2019016
  • Invernizzi, M., Parrinello, M., Making the Best of a Bad Situation: A Multiscale Approach to Free Energy Calculation, J. Chem. Theory Comput., 15, (2019), 2187-2194, https://doi.org/10.1021/acs.jctc.9b00032
  • Kranjčević, M., Adelmann, A., Arbenz, P., Citterio, A., Stingelin, L., Multi-Objective Shape Optimization of Radio Frequency Cavities Using an Evolutionary Algorithm, Nuclear Inst. and Methods in Physics Research, A920, (2019), 106-114, https://doi.org/10.1016/j.nima.2018.12.066
  • Kranjčević, M., Zadeh, S.G., Adelmann, A., Arbenz, P., van Rienen, U., Constrained Multiobjective Shape Optimization of Superconducting Rf Cavities Considering Robustness Against Geometric Perturbations, Phys. Rev. Accel. Beams, 22, 122001, (2019), https://doi.org/10.1103/PhysRevAccelBeams.22.122001
  • Kumar, P.V., Rossi, T.P., Dafcik, D.M., Reichmuth, D., Kuisma, M., Erhart, P., Puska, M.J., Norris, D.J., Plasmon-Induced Direct Hot-Carrier Transfer at Metal-Acceptor Interfaces, ACS Nano, 13(3), (2019), 3188-3195, https://doi.org/10.1021/acsnano.8b08703
  • Kumar, P.V., Rossi, T.P., Kuisma, M., Erhart, P., Norris, D.J., Direct Hot-Carrier Transfer in Plasmonic Catalysis, Faraday Discuss., 2014, (2019), 189-197, https://doi.org/10.1039/C8FD00154E
  • Kuznetsov, D.A., Chen, Z., Kumar, P.V., Tsoukalou, A., Kierzkowska, A., Abdala, P.M., Safonova, O.V., Federov, A., Müller, C.R., Single Site Cobalt Substitution in 2D Molybdenum Carbide (MXene) Enhances Catalytic Activity in the Hydrogen Evolution Reaction, J. Am. Chem. Soc., 141(44), (2019), 17809-17816, https://doi.org/10.1021/jacs.9b08897
  • Lichtenberg, T., Golabek, G.J., Burn, R. Meyer, M.R., Alibert, Y., Gerya, T.V., Morasini, C., A Water Budget Dichotomy of Rocky Protoplanets from 26Al-Heating, Nat. Astron., 3, (2019), 307-313, https://doi.org/10.1038/s41550-018-0688-5
  • Lichtenberg, T., Keller, T., Katz, R.F., Golabek, G.J., Gerya, T.V., Magma Ascent in Planetesimals: Control by Grain Size, Earth Planet. Sci. Lett., 507, (2019), 154-165, https://doi.org/10.1016/j.epsl.2018.11.034
  • Lin, R., Papariello, L., Molignini, P., Chitra, R., Lode, A.U.J., Superfluid–Mott-Insulator Transition of Ultracold Superradiant Bosons in a Cavity, Phys. Rev. A, 100, 013611, (2019), https://doi.org/10.1103/PhysRevA.100.013611
  • Malär, A.A., Smith-Penzel, S., Camenisch, G.-M., Wiegand, T., Samoson, A., Böckmann, A., Ernst, M., Meier, B.H., Quantifying Proton NMR Coherent Linewidth in Proteins Under Fast MAS Conditions: a Second Moment Approach, Phys. Chem. Chem. Phys., 21, (2019), 18850-18865, https://doi.org/10.1039/C9CP03414E
  • Marques, D.A., Lucek, K., Sousa, V.C., Excoffier, L., Seehausen, O., Admixture Between Old Lineages Facilitated Contemporary Ecological Speciation in Lake Constance Stickleback, Nat. Commun., 10, 4240, (2019), https://doi.org/10.1038/s41467-019-12182-w
  • Meyer de Freitas, L., Becker, H., Zimmermann, M., Axhausen, K.W., Modelling Intermodal Travel in Switzerland: A Recursive Logit Approach, Transport. Res. A - Pol, 119, (2019), 200-213, https://doi.org/10.1016/j.tra.2018.11.009
  • Miho, E., Roškar, R., Greiff, V., Reddy, S.T., Large-Scale Network Analysis Reveals the Sequence Space Architecture of Antibody Repertoires, Nat. Commun., 10, 1321, (2019), https://doi.org/10.1038/s41467-019-09278-8
  • Milanese, A., Mende, D.R., Paoli, L., Salazar, G., Ruscheweyh, H.-J., Cuenca, M., Hingamp, P., Alves, R., Costea, P.I, Coelho, L.P., Schmidt, T.S.B., Almeida, A., Mitchell, A.L., Finn, R.D., Huearta-Cepas, J., Bork, P., Zeller, G., Sunagawa, S., Microbial abundance, activity and population of genomic profiling with mOTUs2, Nat. Commun., 10, 1014, (2019), https://doi.org/10.1038/s41467-019-08844-4
  • Mitov, V., Stadler, T., Parallel Likelihood Calculation for Phylogenetic Comparative Models: The SPLITT C++ Library, Methods Ecol. Evol., 10(4), (2019), 493-506, https://doi.org/10.1111/2041-210X.13136
  • Mueller, J., Matlack, K.H., Shea, K., Daraio, Ch., Energy Absorption Properties of Periodic and Stochastic 3D Lattice Materials, Adv. Theory Simul., 2019, 1900081, (2019), https://doi.org/10.1002/adts.201900081
  • Paidikondala, M., Rangasami, V.K., Nawale, G.N., Casalini, T., Perale, G., Kadekar, S., Mohanty, G., Salminen, T., Oommen, O.P., Varghese, O.P, An Unexpected Role of Hyaluronic Acid in Trafficking siRNA Across the Cellular Barrier: The First Biomimetic, Anionic, Non‐Viral Transfection Method, Angew. Chem. Int. Ed., 58, (2019), 2815-2819, https://doi.org/10.1002/anie.201900099
  • Parmigiani, A., Di Palma, P.R., Leclaire, S., Habib, F., Kong, X.-Z., Characterization of Transport-Enhanced Phase Separation in Porous Media Using a Lattice-Boltzmann Method, Geofluids, 2019, 5176410, (2019), https://doi.org/10.1155/2019/5176410
  • Perraudin, N., Srivastava, A., Lucchi, A., Kacprzak, T., Hofmann, Th., Réfrégier, A., Cosmological N-Body Simulations: A Challenge for Scalable Generative Models, Comput. Astrophys. Cosmol., 6, 5, (2019), https://doi.org/10.1186/s40668-019-0032-1
  • Polino, D., Parrinello, M., Kinetics of Aqueous Media Reactions via Ab Initio Enhanced Molecular Dynamics: The Case of Urea Decomposition, J. Phys. Chem. B, 123, (2019), 6851-6856, https://doi.org/10.1021/acs.jpcb.9b05271
  • Preuss, S., Herrendörfer, R. Gerya, T., Ampuero, J.-P., van Dinther, Y., Seismic and Aseismic Fault Growth Lead to Different Fault Orientations, J. Geophys. Res. Sol. Ea., 124, (2019), 8867-8889, https://doi.org/10.1029/2019JB017324
  • Ramirez, M.O., Lummen, T.A., Carrasco, I., Barnes, E., Aschauer, U., Stefanska, D., Gupta, A.S., de las Heras, C., Akamatsu, H., Holt, M., Molina, P., Barnes, A., Haislmaier, R.C., Deren, P.J., Prieto, C., Bausá, L.E., Spaldin, N.A., Gopalan, V., Emergent Room Temperature Polar Phase in CaTiO3 Nanoparticles and Single Crystals, APL Mater., 7, 011103, (2019), https://doi.org/10.1063/1.5078706
  • Rizzi, V., Mendels, D., Sicilia, E., Parrinello, M., Blind Search for Complex Chemical Pathways Using Harmonic Linear Discriminant Analysis, J. Chem. Theory Comput., 15(8), (2019), 4507-4515, https://doi.org/10.1021/acs.jctc.9b00358
  • Rizzi, V., Polino, D., Sicilia, E., Russo, N., Parrinello, M., The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study, Angew. Chem. Int. Ed., 58, (2019), 3976-3980, https://doi.org/10.1002/anie.201900134
  • Saito, F., Trapp, N., Bode, J.W., Iterative Assembly of Polycyclic Saturated Heterocycles from Monomeric Building Blocks, J. Am. Chem. Soc., 141, (2019), 5544-5554, https://doi.org/10.1021/jacs.9b01537
  • Schneider, T., Kaul, C.M., Pressel, K.G., Possible Climate Transitions from Breakup of Stratocumulus Decks Under Greenhouse Warming, Nat. Geosci., 12, (2019), 163-167, https://doi.org/10.1038/s41561-019-0310-1
  • Sesterhenn, F., Galloux, M., Vollers, S.S., Csepregi, L., Yang, C., Descamps, D., Bonet, J., Friedensohn, S., Gainza, P., Corthésy, P., Chen, M., Rosset, S., Rameix-Welti, M.-A., Éléouët, J.-F., Reddy, S.T., Graham, B.S., Riffault, S., Correia, B.E., Boosting Subdominant Neutralizing Antibody Responses With a Computationally Designed Epitope-Focused Immunogen, PLoS Biol., 17(2), e3000164, (2019), https://doi.org/10.1371/journal.pbio.3000164
  • Sferrazza, C., Wahlsten, A., Trueeb, C., D'Andrea, R., Ground Truth Force Distribution for Learning-Based Tactile Sensing: A Finite Element Approach, IEEE Access, 7, (2019), 173438-173449, https://doi.org/10.1109/ACCESS.2019.2956882
  • Skjærvø, S.H, Meier, Q.N., Feygenson, M., Spaldin, N.A., Billinge, S.J.L., Bozin, E.S., Selbach, S.M., Unconventional Continuous Structural Disorder at the Order-Disorder Phase Transition in the Hexagonal Manganites, Phys. Rev. X, 9, 031001, (2019), https://doi.org/10.1103/PhysRevX.9.031001
  • Tröndle, T., Pfenninger, S., Lilliestam, J., Home-Made or Imported: On the Possibility for Renewable Electricity Autarky on All Scales in Europe, Energy Strateg. Rev., 26, 100388, (2019), https://doi.org/10.1016/j.esr.2019.100388
    (article does not explicitly mention the Euler cluster but the author T. Tröndle informed us that the cluster was intensively used for this work)
  • van Zelst, I., Wollherr, S., Gabriel, A.-A., Madden, E.H., van Dinther, Y., Modeling Megathrust Earthquakes Across Scales: One-way Coupling From Geodynamics and Seismic Cycles to Dynamic Rupture, J. Geophys. Res. Sol. Ea., 124, (2019), 11414-11446, https://doi.org/10.1029/2019JB017539
  • Varma, N., Mutt, E., Mühle, J., Lesca, E., Crystal Structure of Jumping Spider Rhodopsin-1 as a Light Sensitive GPCR, PNAS, 116(29), (2019), 14547-14556, https://doi.org/10.1073/pnas.1902192116
  • Weiss, Ph., Oberle, D., Meyer, D.W., Jenny, P., Impact of Turbulence Forcing Schemes on Particle Clustering, Phys. Fluids 31, 061703, (2019), https://doi.org/10.1063/1.5110241
  • Yu, Zh., Shea, K., Stanković, T., A Computational Method for the Design of an Additively Manufactured Personalized Artificial Spinal Disc With Physiological Stiffness Under Multiple Loading Conditions, J. Mech. Des., 141(10), 101406, (2019), https://doi.org/10.1115/1.4043931
  • Zhang, Y.-Y., Niu, H., Piccini, G.M., Mendels, D., Parrinello, M., Improving Collective Variables: The Case of Crystallization, J. Chem. Phys., 150, 094509, (2019), https://doi.org/10.1063/1.5081040
  • Zoller, S., Koepf, E., Roos, P., Steinfeld, A., Heat Transfer Model of a 50 kW Solar Receiver–Reactor for Thermochemical Redox Cycling Using Cerium Dioxide, J. Sol. Energy Eng., 141(2), 021014, (2019), https://doi.org/10.1115/1.4042059

2018

  • Altenhoff, A.M., Glover, N.M., Train, C.-M., Kaleb, K., Vesztrocy, A.W., Dylus, D., de Farias, T.M., Zile, K., Stevenson, Ch., Long, J., Redestig, H., Gonnet, G.H., Dessimoz, Ch., The OMA Orthology Database in 2018: Retrieving Evolutionary Relationships Among All Domains of Life Through Richer Web and Programmatic Interfaces, Nucleic Acids Res., 46(D1), (2018), D477-D485, https://doi.org/10.1093/nar/gkx1019
  • Bachmann, B.J., Giampietro, C., Bayram, A., Stefopoulos, G., Michos, Ch., Graeber, G., Falk, M.V., Poulikakos, D., Ferrari, A., Honeycomb-Structured Metasurfaces for the Adaptive Nesting of Endothelial Cells Under Hemodynamic Loads, Biomater. Sci., 6, (2018), 2726-2737, https://doi.org/10.1039/C8BM00660A
  • Balázs, A., Matenco, L., Vogt, K., Cloetingh, S., Gerya, T., Extensional Polarity Change in Continental Rifts: Inferences From 3-D Numerical Modeling and Observations, J. Geophys. Res. Sol. Ea., 123, (2018), 8073-8094, https://doi.org/10.1029/2018JB015643
  • Bissig, F., Khan, A., van Driel, M., Stähler, S.C., Giardini, D., Panning, M., Drilleau, M., Lognonné, P., Gudkova, T.V., Zharkov, V.N., Plesa, A.-C., Banerdt, W.B., On the Detectability and Use of Normal Modes for Determining Interior Structure of Mars, Space Sci. Rev., 214, 114, (2018), https://doi.org/10.1007/s11214-018-0547-9
  • Blume, S.O.P, Sansavini, G., The Influence of Load Characteristics on Early Warning Signs in Power Systems, In: D'Agostino G., Scala A. (eds) Critical Information Infrastructures Security. CRITIS 2017. Lecture Notes in Computer Science, vol 10707. Springer, Cham., (2018), https://doi.org/10.1007/978-3-319-99843-5_7
  • Böhm, J., Georgoudis, A., Larsen, K.J., Schönemann, H., Zhang, Y., Complete Integration-by-Parts Reductions of the Non-Planar Hexagon-Box via Module Intersections, J. High Energ. Phys., 2018, 24, (2018), https://doi.org/10.1007/JHEP09(2018)024
  • Bourgeois, Y., Stritt, C., Walser, J.-C., Gordon, S.P., Vogel, J.P., Roulin, A.C., Genome‐wide Scans of Selection Highlight the Impact of Biotic and Abiotic Constraints in Natural Populations of the Model Grass Brachypodium Distachyon, Plant J., 96(2), (2018), 438-451, https://doi.org/10.1111/tpj.14042
  • Colón, D.P., Bindeman, I.N., Gerya, T.V., Thermomechanical Modeling of the Formation of a Multilevel, Crustal-Scale Magmatic System by the Yellowstone Plume, Geophys. Res. Lett., 45, (2018), 3873-3879, https://doi.org/10.1029/2018GL077090
  • Dal Zilio, L., van Dinther, Y., Gerya, T.V., Pranger, C.C., Seismic Behaviour of Mountain Belts Controlled by Plate Convergence Rate, Earth Planet. Sci. Lett., 482, (2018), 81-92, https://doi.org/10.1016/j.epsl.2017.10.053
  • de Souza, G.F., Khatiwala, S.P., Hain, M.P., Little, S.H., Vance, D., On the Origin of the Marine Zinc–Silicon Correlation, Earth Planet. Sci. Lett., 492, (2018), 22-34, https://doi.org/10.1016/j.epsl.2018.03.050
  • Dunnett, K., Narayan, A., Spaldin, N.A., Balatsky, A.V., Strain and Ferroelectric Soft-Mode Induced Superconductivity in Strontium Titanate, Phys. Rev. B, 97, 1440506, (2018), https://doi.org/10.1103/PhysRevB.97.144506
  • Feulner, P.G.D., Schwarzer, J., Häsler, M.P., Meier, J.I., Seehausen, O., A Dense Linkage Map of Lake Victoria Cichlids Improved the Pundamilia Genome Assembly and Revealed a Major QTL for Sex-Determination, G3 Genes Genom. Genet., 8(7), (2018), 2411-2420, https://doi.org/10.1534/g3.118.200207
  • Frässle, S., Lomakina, E.I., Kasper, L., Manjaly, Z.M., Leff, A., Pruessmann, K.P., Buhmann, J.M., Stephan, K.E., A Generative Model of Whole-Brain Effective Connectivity, NeuroImage, 179, (2018), 505-529, https://doi.org/10.1016/j.neuroimage.2018.05.058
  • García-López, V., Milić, J.V., Zalibera, M., Neshchadin, D., Kuss-Petermann, M., Ruhlmann, L., Nomrowski, J., Trapp, N., Boudone, C., Gescheidt, G., Wenger, O.S., Diederich, F., Light-Actuated Resorcin[4]Arene Cavitands, Tetrahedron, 74(39), (2018), 5615-5626, https://doi.org/10.1016/j.tet.2018.08.002
  • Gasparini, B., Meyer, A., Neubauer, D., Münch, S., Lohmann, U., Cirrus Cloud Properties as Seen by the CALIPSO Satellite and ECHAM-HAM Global Climate Model, J. Climate, 31(5), (2018), 1983-2003, https://doi.org/10.1175/JCLI-D-16-0608.1
  • Hirsch, A.L., Prestele, R., Davin, E.L., Seneviratne, S.I., Thiery, W., Verburg, P.H., Modelled Biophysical Impacts of Conservation Agriculture on Local Climates, Glob. Change Biol., 24, (2018), 4758-4774, https://doi.org/10.1111/gcb.14362
  • Huang, W.T.K, Ickes, L., Tegen, I., Rinaldi, M., Ceburnis, D., Lohmann, U., Global Relevance of Marine Organic Aerosol as Ice Nucleating Particles, Atmos. Chem. Phys., 18, (2018), 11423-11445, https://doi.org/10.5194/acp-18-11423-2018
  • Hunt, A.C., Cook, D.L., Lichtenberg, T., Reger, P.M., Ek, M., Golabek, G.J., Schönbächler, M., Late Metal–silicate Separation on the IAB Parent Asteroid: Constraints from Combined W and Pt Isotopes and Thermal Modelling, Earth Planet. Sci. Lett., 482, (2018), 490-500, https://doi.org/10.1016/j.epsl.2017.11.034
  • Jain, Sh., Tiso, P., Simulation-Free Hyper-Reduction for Geometrically Nonlinear Structural Dynamics: A Quadratic Manifold Lifting Approach, J. Comput. Nonlin. Dyn., 13(7), 071003, (2018), https://doi.org/10.1115/1.4040021
  • Kahn, A., Liebske, C., Rozel, A., Rivoldini, A., Nimmo, F., Connolly, J.A.D., Plesa, A.-C., Giardini, D., A Geophysical Perspective on the Bulk Composition of Mars, J. Geophys. Res. Planet., 123, (2018), 575-611, https://doi.org/10.1002/2017JE005371
  • Kranjčević, M., Arbenz, P., Adelmann, A., Multi-Level Preconditioning and Eigenvector Approximation for Axisymmetric Maxwell Eigenproblems, Proc. Appl. Math. Mech., 18, e201800091, (2018), https://doi.org/10.1002/pamm.201800091
  • Lichtenberg, T., Golabek, G.J., Dullemond, C.P., Schönbächler, M., Gerya, T.V., Meyer, M.R., Impact Splash Chondrule Formation During Planetesimal Recycling, Icarus, 302, (2018), 27-43, https://doi.org/10.1016/j.icarus.2017.11.004
  • Lovecchio, E., Gruber, N., Münnich, M., Mesoscale Contribution to the Long-Range Offshore Transport of Organic Carbon from the Canary Upwelling System to the Open North Atlantic, Biogeosciences, 15, (2018), 5061-5091, https://doi.org/10.5194/bg-15-5061-2018
  • Matlack, K.H., Serra-Garcia, M., Palermo, A., Huber, S.D., Daraio, Ch., Designing Perturbative Metamaterials from Discrete Models, Nat. Mat., 17, (2018), 323-328, https://doi.org/10.1038/s41563-017-0003-3
  • Meier, J.I., Marques, D.A., Wagner, C.E., Excoffier, L., Seehausen, O., Genomics of Parallel Ecological Speciation in Lake Victoria Cichlids, Mol. Biol. Evol., 35(6), (2018), 1489-1506, https://doi.org/10.1093/molbev/msy051
  • Milella, F., Gazzani, M., Sutter, D., Mazzotti, M., Process Synthesis, Modeling and Optimization of Continuous Cooling Crystallization with Heat Integration—Application to the Chilled Ammonia CO2 Capture Process, Ind. Eng. Chem. Res., 57(34), (2018), 11712-11727, https://doi.org/10.1021/acs.iecr.8b01993
  • Nissen, C., Vogt, M., Münnich, M., Gruber, N., Haumann, F.A., Factors Controlling Coccolithophore Biogeography in the Southern Ocean, Biogeosciences, 15, (2018), 6997-7024, https://doi.org/10.5194/bg-15-6997-2018
  • Oldenburg, F.J., Bon, M., Schmidt, T.J., Perego, D., Polino, D., Laino, T., Gubler, L.,Schmidt, T.J., Revealing the Role of Phosphoric Acid in All-Vanadium Redox Flow Batteries with DFT Calculations and in Situ Analysis, Phys. Chem. Chem. Phys., 20, (2018), 23664-23673, https://doi.org/10.1039/C8CP04517H
  • Pang, Y., Zhang, H., Gerya, T.V., Liao, J., Cheng, H., Shi, Y., The Mechanism and Dynamics of N-S Rifting in Southern Tibet: Insight From 3-D Thermomechanical Modeling, J. Geophys. Res. Sol. Ea., 123, (2018), 859-877, https://doi.org/10.1002/2017JB014011
  • Porer, M., Fechner, M., Bothschafter, E.M., Rettig, L., Savoini, M., Esposito, V., Rittmann, J., Kubli, M., Neugebauer, M.J., Abreu, E., Kubacka, T., Huber, T., Lantz, G., Parchenko, S., Grübel, S., Paarmann, A., Noack, J., Beaud, P., Ingold, G., Aschauer, U., Johnson, S.L., Staub, U., Ultrafast Relaxation Dynamics of the Antiferrodistortive Phase in Ca Doped SrTiO3, Phys. Rev. Lett., 121, 055701, (2018), https://doi.org/10.1103/PhysRevLett.121.055701
  • Ramrath, D.J., Niemann, M., Leibundgut, M., Bieri, Ph., Prange, C., Horn, E.K., Leitner, A., Boehringer, D., Schneider, A., Ban, N., Evolutionary Shift Toward Protein-Based Architecture in Trypanosomal Mitochondrial Ribosomes, Science, 362, eaau7735, (2018), https://doi.org/10.1126/science.aau7735
  • Remondi, F., Kirchner, J.W., Burlando, P., Fatichi, S., Water Flux Tracking With a Distributed Hydrological Model to Quantify Controls on the Spatio temporal Variability of Transit Time Distributions, Water Resour. Res., 54, (2018), 3081-3099, https://doi.org/10.1002/2017WR021689
  • Roche, V., Sternai, P., Guillou-Frottier, L., Menant, A., Jolivet, L., Bouchot, V., Gerya, T., Emplacement of Metamorphic Core Complexes and Associated Geothermal Systems Controlled by Slab Dynamics, Earth Planet. Sci. Lett., 498, (2018), 322-333, https://doi.org/10.1016/j.epsl.2018.06.043
  • Rodríguez, A.C., Kacprzak, T., Lucchi, A., Amara, A., Sgier, R., Fluri, J., Hofmann, Th., Réfrégier, A., Fast Cosmic Web Simulations With Generative Adversarial Networks, Comput. Astrophys. Cosmol., 5, 4, (2018), https://doi.org/10.1186/s40668-018-0026-4
  • Schilling, Ch., Altunbulak, M., Knecht, S., Lopes, A., Whitfield, J.D., Christandl, M., Gross, D., Reiher, M., Generalized Pauli constraints in small atoms, Phys. Rev. A, 97, 052503, (2018), https://doi.org/10.1103/PhysRevA.97.052503
  • Signorell, R.D., Papachristodoulou, A., Xiao, J., Arpagaus, B., Casalini, T., Grandjean, J., Thamm, J., Steiniger, F., Luciani, P., Brambilla, D., Werner, B., Martin, E., Weller, M., Roth, P., Leroux, J.-C., Preparation of PEGylated Liposomes Incorporating Lipophilic Lomeguatrib Derivatives for the Sensitization of Chemo-Resistant Gliomas, Int. J. Pharm., 536, (2018), 388-396, https://doi.org/10.1016/j.ijpharm.2017.11.070
  • Soetbeer, J., Gast, P., Walish, J.J., Zhao, Y., George, Ch., Yang, Ch., Swager, T.M., Griffin, R.G., Nathies, G., Conformation of Bis-Nitroxide Polarizing Agents by Multi-Frequency EPR Spectroscopy, Phys. Chem. Chem. Phys., 20, 25506, (2018), https://doi.org/10.1039/C8CP05236K
  • Taddio, M.F., Mu, L., Keller, C., Schibli, R., Krämer, S.D., Physiologically Based Pharmacokinetic Modelling with Dynamic PET Data to Study the In Vivo Effects of Transporter Inhibition on Hepatobiliary Clearance in Mice, Contrast Media Mol. I., 2018, 5849047, (2018), https://doi.org/10.1155/2018/5849047
  • Tan, Zh., Kaul, C.M., Pressel, K., Cohen, Y., Schneider, T., Teixeira, J., An Extended Eddy‐Diffusivity Mass‐Flux Scheme for Unified Representation of Subgrid‐Scale Turbulence and Convection, J. Adv. Model. Earth Sy., 10, (2018), 770-800, https://doi.org/10.1002/2017MS001162
  • Weiss, Ph., Meyer, D.W., Jenny, P., Evaporating Droplets in Turbulence Studied with Statistically Stationary Homogeneous Direct Numerical Simulation, Phys. Fluids, 30, 083304, (2018), https://doi.org/10.1063/1.5047270
  • Wills, R.C.J., Schneider, T., Mechanisms Setting the Strength of Orographic Rossby Waves across a Wide Range of Climates in a Moist Idealized GCM, J. Climate, 31(18), (2018), 7679-7700, https://doi.org/10.1175/JCLI-D-17-0700.1
  • Yan, H.J., Casalini, T., Hulsart-Billström, G., Wang, S., Oommen O.P., Salvalaglio, M., Larsson, S., Hilborn, J., Varghese, O.P., Synthetic Design of Growth Factor Sequestering Extracellular Matrix Mimetic Hydrogel for Promoting in Vivo Bone Formation, Biomaterials, 161, (2018), 190-202, https://doi.org/10.1016/j.biomaterials.2018.01.041

2017

  • Balsara, D.S., Käppeli, R., Von Neumann Stability Analysis of Globally Divergence-Free RKDG Schemes for the Induction Equation Using Multidimensional Riemann Solvers, J. Comput. Phys., 336, (2017), 104-127, https://doi.org/10.1016/j.jcp.2017.01.056
  • Bettler, S., Simutis, G., Perren, G., Blosser, D., Gvasaliya, S., Zheludev, A., High-pressure Raman Study of the Quantum Magnet (C4H12N2)Cu2Cl6, Phys. Rev. B, 96, 174431, (2017), https://doi.org/10.1103/PhysRevB.96.174431
  • Bieri, Ph., Leibundgut, M., Saurer, M., Böhringer, D., Ban, N., The Complete Structure of the Chloroplast 70S Ribosome in Complex with Translation Factor pY, EMBO J., 36, (2017), 475-486, https://doi.org/10.15252/embj.201695959
  • Blume, S.O.P., Sansavini, G., Effects of Stressor Characteristics on Early Warning Signs of Critical Transitions and "critical Coupling" in Complex Dynamical Systems, Chaos, 27, 121101, (2017), https://doi.org/10.1063/1.5008315
  • Chandrasena, R.U., Yang, W., Lei, Q., Delgado-Jaime, M.U., Wijesekara, K.D., Golalikhani, M., Davidson, B.A., Arenholz, E., Kobayashi, K., Kobata, M., de Groot, F.M.F, Aschauer, U., Spaldin, N.A., Xi, X., Gray, A.X., Strain-Engineered Oxygen Vacancies in CaMnO3 Thin Films, Nano Lett., 17, (2017), 794-799, https://doi.org/10.1021/acs.nanolett.6b03986
  • Charrier, D.E., May, D.A., Schnepp, S.M., Symmetric Interior Penalty Discontiuous Galerkin Discretizations and Block Preconditioning for Heterogeneous Stokes Flow, SIAM J. Sci. Comput., 39(6), (2017), B1021-B1042, https://doi.org/10.1137/16M1084912
  • Chowdhury, P., Gerya, T., Chakraborty, S., Emergence of Silicic Continents as the Lower Crust Peels Off on a Hot Plate-Tectonic Earth, Nature Geosci., 10, (2017), 698-703, https://doi.org/10.1038/ngeo3010
  • Dorostkar, O., Guyer, R.A., Johnson, P.A., Marone, Ch., Carmeliet, J., On the Role of Fluids in Stick-Slip Dynamics of Saturated Granular Fault Gouge Using a Coupled Computational Fluid Dynamics-Discrete Element Approach, J. Geophys. Res. Sol. Ea., 122, (2017), 3689–3700, http://dx.doi.org/10.1002/2017JB014099
  • Freitag, L., Knecht, S., Angeli, C., Reiher, M., Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group, J. Chem. Theory Comput., 13(2), (2017), 451-459, https://doi.org/10.1021/acs.jctc.6b00778
  • Gamboa-Carballo, J.J., Rana, V.K., Levalois-Grützmacher, J., Gaspard, S., Jáuregui-Haza, U., Structures and Stabilities of Naturally Occurring Cyclodextrins: a Theoretical Study of Symmetrical Conformers, J. Mol. Model., 23(11), 318, (2017), https://doi.org/10.1007/s00894-017-3488-4
  • Gasparini, B., Münch, S., Poncet, L., Feldmann, M., Lohmann, U., Is Increasing Ice Crystal Sedimentation Velocity in Geoengineering Simulations a Good Proxy for Cirrus Cloud Seeding?, Atmos. Chem. Phys., 17, (2017), 4871-4885, https://doi.org/10.5194/acp-17-4871-2017
  • Grohs, Ph., Hiptmair, R., Pintarelli, S., Tensor-Product Discretization for the Spatially Inhomogeneous and Transient Boltzmann Equation in Two Dimensions, SMAI-JCM, 3, (2017), 219-248, https://doi.org/10.5802/smai-jcm.26
  • Gusev, A.A., Optimum Microstructural Design of Coated Sphere Filled Viscoelastic Composites for Structural Noise and Vibration Damping Applications, Int. J. Solids Struct., 128, (2017), 1-10, https://doi.org/10.1016/j.ijsolstr.2017.07.005
  • Hample, A., Ederer, C., Interplay Between Breathing Mode Distortion and Magnetic Order in Rare-Earth Nickelates R NiO3 Within DFT+U, Phys. Rev. B, 96, 165130, (2017), https://doi.org/10.1103/PhysRevB.96.165130
  • Hernández-Valdés, D., Blanco-González, A., García-Fleitas, A., Rodríguez-Riera, Z., Meola, G., Alberto, R., Jáuregui-Haza, U., Insight into the Structure and Stability of Tc and Re DMSA Complexes: A Computational Study, J. Mol. Graph. Model., 71, (2017), 167-175, https://doi.org/10.1016/j.jmgm.2016.11.014
  • Hirsch, A.L., Wilhelm, M., Davin, E.L., Thiery, W., Seneviratne, S.I., Can Climate‐effective Land Management Reduce Regional Warming?, J. Geophys. Res. Atmos., 122, (2017), 2269-2288, https://doi.org/10.1002/2016JD026125
  • Küchlin, S., Jenny, P., Parallel Fokker–Planck-DSMC Algorithm for Rarefied Gas Flow Simulation in Complex Domains at All Knudsen Numbers, J. Comput. Phys., 328, (2017), 258-277, https://doi.org/10.1016/j.jcp.2016.10.018
  • Kumar, P.V., Norris, D.J., Tailoring Energy Transfer from Hot Electrons to Adsorbate Vibrations for Plasmon-Enhanced Catalysis, ACS Catal., 7(12), (2017), 8343-8350, https://doi.org/10.1021/acscatal.7b03174
  • Liang, S., Hemberger, P., Levalois-Grützmacher, J., Grützmacher, H., Gaan, S., Probing Phosphorus Nitride (P/N) and Other Elusive Species Formed upon Pyrolysis of Dimethyl Phosphoramidate, Chem. Eur. J., 23, (2017), 5595-5601, http://dx.doi.org/10.1002/chem.201700402
  • Lovecchio, E., Gruber, N., Münnich, M., Lachkar, Z., On the Long-Range Offshore Transport of Organic Carbon from the Canary Upwelling System to the Open North Atlantic, Biogeosciences, 14, (2017), 3337-3369, https://doi.org/10.5194/bg-14-3337-2017
  • Luciani, P. Estella-Hermoso de Mendoza, A., Casalini, T., Lang, S., Atrott, K., Spalinger, M.R., Pratsinis, A., Sobek, J., Frey-Wagner, I., Schumacher, J., Leroux, J.-Ch., Rogler, G., Gastroresistant Oral Peptide for Fluorescence Imaging of Colonic Inflammation, J. Control. Release, 262, (2017), 118-126, https://doi.org/10.1016/j.jconrel.2017.07.024
  • Maffei, S., Jackson, A., Livermore, Ph.W., Characterization of Columnar Inertial Modes in Rapidly Rotating Spheres and Spheroids, Proc. R. Soc. A, 473, 20170181, (2017), https://doi.org/10.1098/rspa.2017.0181
  • Marques, D.A., Lucek, K., Haesler, M.Ph., Feller, A.F., Meier, J.I., Wagner, C.E., Excoffier, L., Seehausen, O., Genomic Landscape of Early Ecological Speciation Initiated by Selection on Nuptial Colour, Mol. Ecol., 26(1), (2017), 7-24, https://doi.org/10.1111/mec.13774
  • Meier, J.I., Sousa, V.C., Marques, D.A., Selz, O.M., Wagner, C.E., Excoffier, L., Seehause, O., Demographic Modelling with Whole-Genome Data Reveals Parallel Origin of Similar Pundamilia Cichlid Species after Hybridization, Mol. Ecol., 26, (2017), 123-141, https://doi.org/10.1111/mec.13838
  • Muhich, Ch.L., Re-Evaluating CeO2 Expansion Upon Reduction: Noncounterpoised Forces, Not Ionic Radius Effects, Are the Cause, J. Phys. Chem. C, 121(14), (2017), 8052-8059, https://doi.org/10.1021/acs.jpcc.6b12373
  • Ott, F.D., Riedlinger, A., Ochsenbein, D.R., Knüsel, P.N., Erwin, S.C., Mazzotti, M, Norris, D.J., Ripening of Semiconductor Nanoplatelets, Nano. Lett., 17, (2017), 6870-6877, https://doi.org/10.1021/acs.nanolett.7b03191
  • Parmigiani, A., Degruyter, W., Leclaire, S., Huber, C., Bachmann, O., The Mechanics of Shallow Magma Reservoir Outgassing, Geochem. Geophys. Geosyst., 18, (2017), 2887-2905, https://doi.org/10.1002/2017GC006912
  • Pournaras, E., Brandt, B.-E., Thapa, M., Acharya, D., Espejo-Uribe, J., Ballandies, M., Helbing, D., SFINA - Simulation Framework for Intelligent Network Adaptations, Simul. Model. Pract. Th., 72, (2017), 34-50, https://doi.org/10.1016/j.simpat.2016.12.007
  • Prakash, M.K., Lang, B., Heinrich, H., Valli, P.V., Bauerfeind, P., Sonnenberg, A., Beerenwinkel, N., Misselwitz, B., CMOST: An Open-Source Framework for the Microsimulation of Colorectal Cancer Screening Strategies, BMC Med. Inform. Decis., 17, 80, (2017), https://doi.org/10.1186/s12911-017-0458-9
  • Riedinger, A., Ott, F.D., Mule, A., Mazzotti, S., Knüsel, P.N., Kress, S.J.P., Prins, F., Erwin, S.C., Norris, D.J., An Intrinsic Growth Instability in Isotropic Materials Leads to Quasi-Two-Dimensional Nanoplatelets, Nature Mater., 16, (2017), 743-748, https://doi.org/10.1038/nmat4889
  • Tan, Z., Schneider, T., Teixeira, J., Pressel, K.G., Large-Eddy Simulation of Subtropical Cloud-Topped Boundary Layers: 2. Cloud Response to Climate Change, J. Adv. Model. Earth Syst., 9, (2017), 19-38, https://doi.org/10.1002/2016MS000804
  • Thiery, W., Davin, E.L., Lawrence, D.M., Hirsch, A.L., Hauser, M., Seneviratne, S.I., Present‐day Irrigation Mitigates Heat Extremes, J. Geophys. Res. Atmos., 122, (2017), 1403-1422, https://doi.org/10.1002/2016JD025740

2016

  • Aschauer, U., Spaldin, N.A., Interplay Between Strain, Defect Charge State, and Functionality in Complex Oxides, Appl. Phys. Lett., 109, 031901, (2016), https://doi.org/10.1063/1.4958716
  • Greber, B.J., Gerhardy, S., Leitner, A., Leibundgut, M., Salem, M., Boheringer, D., Leulliot, N., Aebersold, R., Panse, V.G., Ban, N., Insertion of the Biogenesis Factor Rei1 Probes the Ribosomal Tunnel During 60S Maturation, Cell, 162, (2016), 91-102, https://doi.org/10.1016/j.cell.2015.11.027
  • Häner, T., Steiger, D.S., Troyer, M., High Performance Emulation of Quantum Circuits, SC16: International Conference for High Performance Computing, Networking, Storage and Analysis, (2016), 866-874, http://dx.doi.org/10.1109/SC.2016.73
  • Khan, T.A., Friedensohn, S., Gorter de Vries, A.R., Straszewski, J., Ruscheweyh, H.-J., Reddy, S.T., Accurate and Predictive Antibody Repertoire Profiling by Molecular Amplification Fingerprinting, Sci. Adv., 2(3), e1501371, (2016), https://doi.org/10.1126/sciadv.1501371
  • Lichtenbert, T., Golabek, G.J., Gerya, T.V., Meyer, M.R., The Effects of Short-Lived Radionuclides and Porosity on the Early Thermo-Mechanical Evolution of Planetesimals, Icarus, 274, (2016), 350-365, https://doi.org/10.1016/j.icarus.2016.03.004
  • Lichtenberg, T., Parker, R.J., Meyer, M.R., Isotopic Enrichment of Forming Planetary Systems from Supernova Pollution, MNRAS, 462, (2016), 3979-3992, https://doi.org/10.1093/mnras/stw1929
  • Mühlfellner, P., Bürki, M., Bosse, M., Derendarz, W., Philippsen, R., Furgale, P., Summary Maps for Lifelong Visual Localization, J. Field. Robot., 33(5), (2016), 561-590, https://doi.org/10.1002/rob.21595
  • Parmigiani, A., Faroughi, S., Huber, C., Bachmann, O., Su, Y., Bubble Accumulation and Its Role in the Evolution of Magma Reservoirs in the Upper Crust, Nature, 532, (2016), 492-495, https://doi.org/10.1038/nature17401
  • Saletti, M., Molnar, P., Hassan, M.A., Burlando, P., A Reduced-Complexity Model for Sediment Transport and Step-Pool Morphology, Earth Surf. Dynam., 4, (2016), 549-566, https://doi.org/10.5194/esurf-4-549-2016
  • Sclauzero, G., Dymkowski, K., Ederer, C., Tuning the Metal-Insulator Transition in d1 and d2 Perovskites by Epitaxial Strain: A First-Principles-Based Study, Phys. Rev. B, 94, 245109, (2016), https://doi.org/10.1103/PhysRevB.94.245109
  • Skjærvø, S.H., Wefring, E.T., Nesdal, S.K., Gaukås, N.H., Interstitial Oxygen as a Source of p-Type Conductivity in Hexagonal Manganites, Nat. Commun., 7, (2016), 13745, https://doi.org/10.1038/ncomms13745
  • Tan, Z.H., Schneider, T., Teixeira, J., Pressel, K.G., Large‐eddy Simulation of Subtropical Cloud‐topped Boundary Layers: 1. A Forcing Framework with Closed Surface Energy Balance, J. Adv. Model. Earth Syst., 8, (2016), 1565-1585, https://doi.org/10.1002/2016MS000655
  • Tirla, A., Rivera-Fuentes, P., Development of a Photoactivatable Phosphine Probe for Induction of Intracellular Reductive Stress with Single‐Cell Precision, Angew. Chem. Int. Ed., 55 (2016), 14709-14712, https://doi.org/10.1002/anie.201608779
  • Turi, G., Lachkar, Z., Gruber, N., Münnich, M., Climatic Modulation of Recent Trends in Ocean Acidification in the California Current System, Environ. Res. Lett., 11, 014007, (2016), https://doi.org/10.1088/1748-9326/11/1/014007
  • Wills, R.C., Schneider, T., How Stationary Eddies Shape Changes in the Hydrological Cycle: Zonally Asymmetric Experiments in an Idealized GCM, J. Climate, 29(9), (2016), 3161-3179, https://doi.org/10.1175/JCLI-D-15-0781.1

2015

  • Frischknecht, M., Münnich, M., Gruber, N., Remote Versus Local Influence of ENSO on the California Current System, J. Geophys. Res. Oceans, 120, (2015), 1353-1374, https://doi.org/10.1002/2014JC010531
  • Katzgraber, H.G., Hamze, F., Zhu, Zh., Ochoa, A.J.,, Munoz-Bauza, H., Seeking Quantum Speedup Through Spin Glasses: The Good, the Bad, and the Ugly, Phys. Rev. X, 5, 031026, (2015), https://doi.org/10.1103/PhysRevX.5.031026
  • Wang, W., Machta, J., Katzgraber, H.G., Comparing Monte Carlo Methods for Finding Ground States of Ising Spin Glasses: Population Annealing, Simulated Annealing, and Parallel Tempering, Phys. Rev. B, 92, 013303, (2015), https://doi.org/10.1103/PhysRevE.92.013303

2014

  • Wang, W., Machta, J., Katzgraber, H.G., Evidence Against a Mean-Field Description of Short-Range Spin Glasses Revealed Through Thermal Boundary Conditions, Phys. Rev. B, 90, 184412, (2014), https://doi.org/10.1103/PhysRevB.90.184412

Publications referencing the Leonhard Open cluster (2017-2021) sorted by year

2022

  • Liu, M., Gerya, T., Rozel, A.B., Self-Organization of Magma Supply Controls Crustal Thickness Variation and Tectonic Pattern Along Melt-Poor Mid-Ocean Ridges, Earth Planet. Sci. Lett., 584, 117482, (2022), https://doi.org/10.1016/j.epsl.2022.117482

2021

  • Balázs, A., Faccenna, C., Kosuke, U., Funiciello, F., Boutoux, A., Blanc, E. J.-P., Gerya, T., Oblique Subduction and Mantle Flow Control on Upper Plate Deformation: 3D Geodynamic Modeling, Earth Planet. Sci. Lett., 569, 117056, (2021), https://doi.org/10.1016/j.epsl.2021.117056
  • Crysnanto, D., Leonhard, A.S., Fang, Z.-H., Pausch, H., Novel Functional Sequences Uncovered Through a Bovine Multiassembly Graph, PNAS, 118(20), (2020), e2101056118, https://doi.org/10.1073/pnas.2101056118
  • Gökmen, D.E., Ringel, Z., Huber, S.D., Koch-Janusz, M., Symmetries and Phase Diagrams with Real-Space Mutual Information Neural Estimation, Phys. Rev. E, 104, 064106, (2021), https://doi.org/10.1103/PhysRevE.104.064106
  • Jiménez-Luna, J., Skalic, M., Weskamp, N., Schneider, G., Coloring Molecules with Explainable Artificial Intelligence for Preclinical Relevance Assessment, J. Chem., Inf. Model., 61, (2021), 1083-1094, https://doi.org/10.1021/acs.jcim.0c01344

2020

  • Alexeev, D., Amoudrouz, L., Litvinov, S., Koumoutsakos, P., Mirheo: High-Performance Mesoscale Simulations for Microfluidics, Comput. Phys. Commun., 254, 107298, (2020), https://doi.org/10.1016/j.cpc.2020.107298
  • Jaskolowski, M., Ramrath, D.J.F., Bieri, P., Niemann, M., Mattei, S., Calderaro, S., Leibundgut, M., Horn, E.K., Böhringer, D., Schneider, A., Ban, N., Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis, Mol. Cell, 79, (2020), 629-644, https://doi.org/10.1016/j.molcel.2020.06.030
  • Mattei, S., Ban, A., Picenoni, A., Leibundgut, M., Glockshuber, R., Böhringer, D., Structure of Native Glycolipoprotein Filaments in Honeybee Royal Jelly, Nat. Commun., 11, 6267, (2020), https://doi.org/10.1038/s41467-020-20135-x
  • Preuss, S., Ampuero, J.P., Gerya, T., van Dinther, Y., Characteristics of Earthquake Ruptures and Dynamic Off-Fault Deformation on Propagating Faults, Solid Earth, 11, (2020), 1333-1360, https://doi.org/10.5194/se-11-1333-2020
  • Sanan, P., May, D.A., Bollhöfer, M., Schenk, O., Pragmatic Solvers for 3D Stokes and Elasticity Problems with Heterogeneous Coefficients: Evaluating Modern Incomplete LDLT Preconditioners, Solid Earth, 11, (2020), https://doi.org/10.5194/se-11-2031-2020
  • Yan, J., Ballmer, M.D., Tackley, P.J., The Evolution and Distribution of Recycled Oceanic Crust in the Earth's Mantle: Insight from Geodynamic Models, Earth Planet. Sci. Lett., 537, 116171, (2020), https://doi.org/10.1016/j.epsl.2020.116171

2019

  • Milanese, A., Mende, D.R., Paoli, L., Salazar, G., Ruscheweyh, H.-J., Cuenca, M., Hingamp, P., Alves, R., Costea, P.I, Coelho, L.P., Schmidt, T.S.B., Almeida, A., Mitchell, A.L., Finn, R.D., Huearta-Cepas, J., Bork, P., Zeller, G., Sunagawa, S., Microbial abundance, activity and population of genomic profiling with mOTUs2, Nat. Commun., 10, 1014, (2019), https://doi.org/10.1038/s41467-019-08844-4
  • Perraudin, N., Srivastava, A., Lucchi, A., Kacprzak, T., Hofmann, Th., Réfrégier, A., Cosmological N-Body Simulations: A Challenge for Scalable Generative Models, Comput. Astrophys. Cosmol., 6, 5, (2019), https://doi.org/10.1186/s40668-019-0032-1
  • Preuss, S., Herrendörfer, R. Gerya, T., Ampuero, J.-P., van Dinther, Y., Seismic and Aseismic Fault Growth Lead to Different Fault Orientations, J. Geophys. Res. Sol. Ea., 124, (2019), 8867-8889, https://doi.org/10.1029/2019JB017324

2018

  • Rodríguez, A.C., Kacprzak, T., Lucchi, A., Amara, A., Sgier, R., Fluri, J., Hofmann, Th., Réfrégier, A., Fast Cosmic Web Simulations With Generative Adversarial Networks, Comput. Astrophys. Cosmol., 5, 4, (2018), https://doi.org/10.1186/s40668-018-0026-4

Publications referencing the Brutus cluster (2007-2016) sorted by year

2021

2020

  • Bakowies, D., Estimating Systematic Error and Uncertainty in Ab Initio Thermochemistry: II. ATOMIC(hc) Enthalpies of Formation for a Large Set of Hydrocarbons, J. Chem. Theory Comput., 16, (2020), 399-426, https://doi.org/10.1021/acs.jctc.9b00974
  • Kries, H., Bloch, J.S., Bunzel, H.A., Pinkas, D.M., Hilvert, D., Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiency, ACS Catal., 10(8), (2020), 4460-4464, https://doi.org/10.1021/acscatal.0c00575
  • Piluski, M., Shiroka, T., Casola, F., Reyes, A.P., Kuhns, Ph.L., Wang, Sh., Ott, H.-R., Mesot, J., Two Coupled Chains Are Simpler Than One: Field-Induced Chirality in a Frustrated Spin Ladder, Sci. Rep., 10, 15862, (2020), https://doi.org/10.1038/s41598-020-72215-z
  • Rellstab, Ch., Zoller, S., Sailer, Ch., Tedder, A., Gugerli, F., Shimizu, K.K., Holderegger, R., Widmer, A., Fischer, M.C., Genomic Signatures of Convergent Adaptation to Alpine Environments in Three Brassicaceae Species, Mol. Ecol., 29(22), (2020), 4350-4365, https://doi.org/10.1111/mec.15648
  • Rocca, R., Palazzesi, F., Amato, J., Costa, G., Ortuso, F., Pagano, B., Randazzo, A., Novellino, E., Alcaro, S., Moraca, F., Artese, A., Folding Intermediate States of the Parallel Human Telomeric G-Quadruplex DNA Explored Using Well-Tempered Metadynamics, Sci. Rep., 10, 3176, (2020), https://doi.org/10.1038/s41598-020-59774-x

2019

  • Bakowies, D., Estimating Systematic Error and Uncertainty in Ab Initio Thermochemistry. I. Atomization Energies of Hydrocarbons in the ATOMIC(hc) Protocol, J. Chem. Theory Comput., 15, (2019), 5230-5251, https://doi.org/10.1021/acs.jctc.9b00343
  • Beaussier, S.J., Gerya, T.V., Burg, J.-P., Near-Ridge Initiation of Intraoceanic Subduction: Effects of Inheritance in 3D Numerical Models of the Wilson Cycle, Tectonophysics, 763, (2019), 1-13, https://doi.org/10.1016/j.tecto.2019.04.011
  • Gallinski, H., Wyss, A., Seregni, M., Ma, H., Schnabel, V., Sologubenko, A., Spolenak, R., Disordered Zero-Index Metamaterials Based on Metal-Induced Crystallization, NPG Asia Mater., 11, 58, (2019), https://doi.org/10.1038/s41427-019-0157-3
  • Gülcher, A.J.P., Beaussier, S.J., Gerya, T.V., On the Formation of Oceanic Detachment Faults and Their Influence on Intra-Oceanic Subduction Initiation: 3D Thermomechanical Modeling, Earth Planet. Sci. Lett., 506, (2019), 195-208, https://doi.org/10.1016/j.epsl.2018.10.042
  • Núñez Valdez, M., Spaldin, N.A., Origin and Evolution of Ferroelectricity in the Layered Rare-Earth-Titanate, R2Ti2O7, Carpy-Galy phases, Polyhedron, 171, (2019), 181-192, https://doi.org/10.1016/j.poly.2019.07.018
  • Sheng, J., Li, C., Liao, J., Yang, Z., Jian, Sh., Dynamics of Back-Arc Extension Controlled by Subducting Slab Retreat: Insights from 2D Thermo-Mechanical Modelling, Geol. J., 54(6), (2019), 3376-3388, https://doi.org/10.1002/gj.3336
  • Sizova, E., Hauzenberger, C., Fritz, H., Faryad, S.W., Gerya, T., Late Orogenic Heating of (Ultra)High Pressure Rocks: Slab Rollback vs. Slab Breakof, Geosciences, 9(12), 499, (2019), https://doi.org/10.3390/geosciences9120499

2018

  • de Groot, R., Lüthi, J., Lindsay, H., Holtackers, R., Pelkmans, L., Large-Scale Image-Based Profiling of Single-Cellphenotypes in Arrayed CRISPR-Cas9 Gene Perturbation Screens, Mol. Syst. Biol., 14, e8064, (2018), https://doi.org/10.15252/msb.20178064
  • Popovic, D., Koch, B., Kueblbeck, M., Ellenberg, J., Pelkmans, J., Multivariate Control of Transcript to Protein Variability in Single Mammalian Cells, Cell Systems, 7, (2018), 398-411, https://doi.org/10.1016/j.cels.2018.09.001
  • Roche, V., Sternai, P., Guillou-Frottier, L., Menant, A., Jolivet, L., Bouchot, V., Gerya, T., Emplacement of Metamorphic Core Complexes and Associated Geothermal Systems Controlled by Slab Dynamics, Earth Planet. Sci. Lett., 498, (2018), 322-333, https://doi.org/10.1016/j.epsl.2018.06.043
  • Santos-Cottin, D., Klein, P., Werner, Ph., Miyake, T., de' Medici, L., Gauzzi, A., Lobo, R.P.S.M., Casula, M., Linear Behavior of the Optical Conductivity and Incoherent Charge Transport in BaCoS2, Phys. Rev. Materials, 2, 105001, (2018), https://doi.org/10.1103/PhysRevMaterials.2.105001
  • Scaramucci, A., Shinaoka, H., Mostovoy, M.V., Müller, M., Mudry, C., Troyer, M., Spaldin, N.A., Multiferroic Magnetic Spirals Induced by Random Magnetic Exchanges, Phys. Rev. X, 8, 011005, (2018), https://doi.org/10.1103/PhysRevX.8.011005
  • Schilling, Ch., Altunbulak, M., Knecht, S., Lopes, A., Whitfield, J.D., Christandl, M., Gross, D., Reiher, M., Generalized Pauli constraints in small atoms, Phys. Rev. A, 97, 052503, (2018), https://doi.org/10.1103/PhysRevA.97.052503
  • Vogt, K., Willingshofer, E., Matenco, L., Sokoutis, D., Gerya, T., Cloetingh, S., The Role of Lateral Strength Contrasts in Orogenesis: A 2D Numerical Study, Tectonophysics, 746, (2018), 549-561, https://doi.org/10.1016/j.tecto.2017.08.010
  • Wu, S., Angelikopoulos, P., Papadimitriou, C., Koumoutsakos, P., Bayesian Annealed Sequential Importance Sampling: An Unbiased Version of Transitional Markov Chain Monte Carlo, ASME J. Risk Uncertainty Part B, 4(1), 011008, (2018), https://doi.org/10.1115/1.4037450
  • Yan, H.J., Casalini, T., Hulsart-Billström, G., Wang, S., Oommen O.P., Salvalaglio, M., Larsson, S., Hilborn, J., Varghese, O.P., Synthetic Design of Growth Factor Sequestering Extracellular Matrix Mimetic Hydrogel for Promoting in Vivo Bone Formation, Biomaterials, 161, (2018), 190-202, https://doi.org/10.1016/j.biomaterials.2018.01.041

2017

  • Andersen, J.C., Katzgraber, H.G., Schechter, M., Random-Field-Induced Disordering Mechanism in a Disordered Ferromagnet: Between the Imry-Ma and the Standard Disordering Mechanism, Phys. Rev. B, 96, 214414, (2017), https://doi.org/10.1103/PhysRevB.96.214414
  • Balsara, D.S., Käppeli, R., Von Neumann Stability Analysis of Globally Divergence-Free RKDG Schemes for the Induction Equation Using Multidimensional Riemann Solvers, J. Comput. Phys., 336, (2017), 104-127, https://doi.org/10.1016/j.jcp.2017.01.056
  • Bartl, J., Palazzesi, F., Parrinello, M., Hommers, L., Riederer, P., Walitza, S., Grünblatt, E., The Impact of Methylphenidate and Its Enantiomers on Dopamine Synthesis and Metabolism In Vitro, Prog. Neuropsychopharmacol. Biol. Psychiatry, 79(B), (2017), 281-288, https://doi.org/10.1016/j.pnpbp.2017.07.002
  • Charrier, D.E., May, D.A., Schnepp, S.M., Symmetric Interior Penalty Discontiuous Galerkin Discretizations and Block Preconditioning for Heterogeneous Stokes Flow, SIAM J. Sci. Comput., 39(6), (2017), B1021-B1042, https://doi.org/10.1137/16M1084912
  • Chowdhury, P., Gerya, T., Chakraborty, S., Emergence of Silicic Continents as the Lower Crust Peels Off on a Hot Plate-Tectonic Earth, Nature Geosci., 10, (2017), 698-703, https://doi.org/10.1038/ngeo3010
  • Custodis, V.B.F., Hemberger, P., van Bokhoven, J.A., How Inter- and Intramolecular Reactions Dominate the Formation of Products in Lignin Pyrolysis, Chem. Eur. J., 23, (2017), 8658-8668, https://doi.org/10.1002/chem.201700639
  • Doppelbauer, M.J., Schullian, O, Loreau, J., Vaeck, N., van der Avoird, A., Rennick, C.J., Softley, T.P., Heazlewood, B.R., Using a Direct Simulation Monte Carlo Approach to Model Collisions in a Buffer Gas Cell, J. Chem. Phys., 146, 044302, (2017), https://doi.org/10.1063/1.4974253
  • Dorostkar, O., Guyer, R.A., Johnson, P.A., Marone, Ch., Carmeliet, J., On the Role of Fluids in Stick-Slip Dynamics of Saturated Granular Fault Gouge Using a Coupled Computational Fluid Dynamics-Discrete Element Approach, J. Geophys. Res. Sol. Ea., 122, (2017), 3689–3700, http://dx.doi.org/10.1002/2017JB014099
  • Duprat-Oualid, S., Yamato, Ph., On the Meaning of Peak Temperature Profiles in Inverted Metamorphic Sequences, Geophys. J. Int., 210, (2017), 130-147, https://doi.org/10.1093/gji/ggx129
  • Gamboa-Carballo, J.J., Rana, V.K., Levalois-Grützmacher, J., Gaspard, S., Jáuregui-Haza, U., Structures and Stabilities of Naturally Occurring Cyclodextrins: a Theoretical Study of Symmetrical Conformers, J. Mol. Model., 23(11), 318, (2017), https://doi.org/10.1007/s00894-017-3488-4
  • Giberti, F., Salvalaglio, M., Mazzotti, M., Parrinello, M., 1,3,5-tris(4-bromophenyl)-benzene Nucleation: From Dimers to Needle-like Clusters, Cryst. Growth Des., 17(8), (2017), 4137-4143, https://doi.org/10.1021/acs.cgd.7b00410
  • Gusev, A.A., Optimum Microstructural Design of Coated Sphere Filled Viscoelastic Composites for Structural Noise and Vibration Damping Applications, Int. J. Solids Struct., 128, (2017), 1-10, https://doi.org/10.1016/j.ijsolstr.2017.07.005
  • Hernández-Valdés, D., Blanco-González, A., García-Fleitas, A., Rodríguez-Riera, Z., Meola, G., Alberto, R., Jáuregui-Haza, U., Insight into the Structure and Stability of Tc and Re DMSA Complexes: A Computational Study, J. Mol. Graph. Model., 71, (2017), 167-175, https://doi.org/10.1016/j.jmgm.2016.11.014
  • Kamer, Y., Kissling, E., Ouillon, G., Sornette, D., KaKiOS‐16: A Probabilistic, Nonlinear, Absolute Location Catalog of the 1981–2011 Southern California Seismicity, B. Seismol. Soc. Am., 107(5), (2017), 1994-2007, https://doi.org/10.1785/0120160146
  • Kelevitz, K., Houlié, N., Giardini, D., Rothacher, M., Performance of High‐Rate GPS Waveforms at Long Periods: Moment Tensor Inversion of the 2003 Mw 8.3 Tokachi‐Oki Earthquake, B. Seismol. Soc. Am., 107(4), (2017), 1891-1903, https://doi.org/10.1785/0120160338
  • Keller, T., Katz, R.F., Hirschmann, M.M., Volatiles Beneath Mid-Ocean Ridges: Deep Melting, Channelised Transport, Focusing, and Metasomatism, Earth Planet. Sci. Lett., 465, (2017), 55-68, https://doi.org/10.1016/j.epsl.2017.02.006
  • Kulakova, L., Arampatzis, G., Angelikopoulos, P., Hadjidoukas, P., Papadimitriou, C., Koumoutsakos, P., Data Driven Inference for the Repulsive Exponent of the Lennard-Jones Potential in Molecular Dynamics Simulations, Sci. Rep., 7, 16576, (2017), https://doi.org/10.1038/s41598-017-16314-4
  • Kumar, P.V., Norris, D.J., Tailoring Energy Transfer from Hot Electrons to Adsorbate Vibrations for Plasmon-Enhanced Catalysis, ACS Catal., 7(12), (2017), 8343-8350, https://doi.org/10.1021/acscatal.7b03174
  • Luciani, P. Estella-Hermoso de Mendoza, A., Casalini, T., Lang, S., Atrott, K., Spalinger, M.R., Pratsinis, A., Sobek, J., Frey-Wagner, I., Schumacher, J., Leroux, J.-Ch., Rogler, G., Gastroresistant Oral Peptide for Fluorescence Imaging of Colonic Inflammation, J. Control. Release, 262, (2017), 118-126, https://doi.org/10.1016/j.jconrel.2017.07.024
  • Muhich, Ch.L., Re-Evaluating CeO2 Expansion Upon Reduction: Noncounterpoised Forces, Not Ionic Radius Effects, Are the Cause, J. Phys. Chem. C, 121(14), (2017), 8052-8059, https://doi.org/10.1021/acs.jpcc.6b12373
  • Ni, Q.Z., Markhasin, E., Can, T.V., Corzilius, B., Tan, K.O., Barnes, A.B., Daviso, E., Su, Y., Herzfeld, J., Griffin, R.G., Peptide and Protein Dynamics and Low-Temperature/DNP Magic Angle Spinning NMR, J. Phys. Chem. B, 121(19), (2017), 4997-5006, https://doi.org/10.1021/acs.jpcb.7b02066
  • Pelliciari, J., Huang, Y., Ishii, K., Zhang, C., Dai, P., Chen, G.F., Xing, L., Wang, X., Jin, C., Ding, H., Werner, Ph., Schmitt, T., Magnetic Moment Evolution and Spin Freezing in Doped BaFe2As2, Sci. Rep., 7, 8003, (2017), https://doi.org/10.1038/s41598-017-07286-6
  • Pournaras, E., Brandt, B.-E., Thapa, M., Acharya, D., Espejo-Uribe, J., Ballandies, M., Helbing, D., SFINA - Simulation Framework for Intelligent Network Adaptations, Simul. Model. Pract. Th., 72, (2017), 34-50, https://doi.org/10.1016/j.simpat.2016.12.007
  • Prakash, M.K., Lang, B., Heinrich, H., Valli, P.V., Bauerfeind, P., Sonnenberg, A., Beerenwinkel, N., Misselwitz, B., CMOST: An Open-Source Framework for the Microsimulation of Colorectal Cancer Screening Strategies, BMC Med. Inform. Decis., 17, 80, (2017), https://doi.org/10.1186/s12911-017-0458-9
  • Rosenberger, G., Liu, Y., Röst, H.L., Ludwig, Ch., Buil, A., Bensimon, A., Soste, M., Spector, T.D., Dermitzakis, E.T., Collins, B.C., Malmström, L., Aebersold, R., Inference and Quantification of Peptidoforms in Large Sample Cohorts by SWATH-MS, Nat. Biotech., 35, (2017), 781-788, https://doi.org/10.1038/nbt.3908
  • Schopfer, S., Tiefenbeck, V., Fleisch, E., Staake, Th., Providing Primary Frequency Control with Residential scale Photovoltaic-Battery Systems, Comput. Sci. Res. Dev., 32, (2017), 105-115, https://doi.org/10.1007/s00450-016-0318-3
  • Verona, M.D., Verdolino, V., Palazzesi, F.., Corradini, R., Focus on PNA Flexibility and RNA Binding Using Molecular Dynamics and Metadynamics, Sci. Rep., 7, 42799, (2017), https://doi.org/10.1038/srep42799
  • Vogt, K., Matenco, L., Cloetingh, S., Crustal Mechanics Control the Geometry of Mountain Belts. Insights from Numerical Modelling, Earth Planet. Sci. Lett., 460, (2017), 12-21, https://doi.org/10.1016/j.epsl.2016.11.016

2016

  • Andresen, J.C., Pramudya, Y., Katzgraber, H.G., Thomas, C.K., Zimanyi, G.T., Dobrosavljevic, V., Charge Avalanches and Depinning in the Coulomb Glass: The Role of Long-Range Interactions, Phys. Rev. B, 93, 094429, (2016), https://doi.org/10.1103/PhysRevB.93.094429
  • Andrist, R.S., Katzgraber, H.G., Bombin, H., Martin-Delgado, M.A., Error Tolerance of Topological Codes with Independent Bit-Flip and Measurement Errors, Phys. Rev. A, 94, 012318, (2016), https://doi.org/10.1103/PhysRevA.94.012318
  • Aspelmeier, T., Katzgraber, H.G., Larson, D., Moore, M.A., Wittmann, M., Yeo, J., Finite-Size Critical Scaling in Ising Spin Glasses in the Mean-Field Regime, Phys. Rev. E, 93, 032123, (2016), https://doi.org/10.1103/PhysRevE.93.032123
  • Berry, T.M., Defraeye, T., Nicolaï, B.M., Opara, U.L., Multiparameter Analysis of Cooling Efficiency of Ventilated Fruit Cartons using CFD: Impact of Vent Hole Design and Internal Packaging, Food Bioprocess Technol., 9(9), (2016), 1481-1493, https://doi.org/10.1007/s11947-016-1733-y
  • Crameri, F., Tackley, P.J., Subduction Initiation from a Stagnant Lid and Global Overturn: New Insights from Numerical Models with a Free Surface, Prog. in Earth and Plant. Sci., 3, 30, (2016), https://doi.org/10.1186/s40645-016-0103-8
  • Duretz, T., Agard, Ph., Yamato, Ph., Ducassou, C., Burov, E.B., Gerya, T.V., Thermo-Mechanical Modeling of the Obduction Process Based on the Oman Ophiolite Case, Gondwana Res., 32, (2016), 1-10, https://doi.org/10.1016/j.gr.2015.02.002
  • Fischer, R., Gerya, T., Early Earth Plume-Lid Tectonics: A High-Resolution 3D Numerical Modelling Approach, J. Geodyn., 100, (2016), 198-214, https: //doi.org/10.1016/j.jog.2016.03.004
  • Gukelberger, J., Lienert, S., Kozik, E., Pollet, L., Troyer, M., Fulde-Ferrell-Larkin-Ovchinnikov Pairing as Leading Instability on the Square Lattice, Phys. Rev. B, 94, 075157, (2016), https://doi.org/10.1103/PhysRevB.94.075157
  • Gupta, A., Hepp, B., Khammash, M., Noise Induces the Population-Level Entrainment of Incoherent, Uncoupled Intracellular Oscillators, Cell Systems, 3(6), (2016), 521-531, https://doi.org/10.1016/j.cels.2016.10.006
  • Hässig, M., Duretz, T., Rolland, Y., Sosson, M., Obduction of Old Oceanic Lithosphere Due to Reheating and Plate Reorganization: Insights from Numerical Modelling and the NE Anatolia – Lesser Caucasus Case Example, J. Geodyn., 96, (2016), 35-49, https://doi.org/10.1016/j.jog.2016.02.007
  • Kacprzak, T., Kirk, D., Friedrich, O., Amara, A., Refregier, A., Marian, L., Dietrich, J.P., Suchyta, E., Aleksic, J., Bacon, D., Becker, M.R., Bonnett, C., Bridle, S.L., Chang, C., Eifler, T.F., Hartley, W.G., Huff, E.M, Krause, E., MacCrann, N., Melchior, P., Nicola, A., Samuroff, S., Sheldon, E., Troxel, M.A., Weller, J., Zuntz, J., Abbott, T.M.C., Abdalla, F.B., Armstrong, R., Benoit-Levy, A., Bernstein, G.M., Bernstein, R.A., Bertin, E., Brooks, D., Burke, D.L., Carnero Rosell, A., Carrasco Kind, M., Carretero, J., Castander, F.J., Crocce, M., D’Andrea, C.B., da Costa, L.N., Desai, S., Diehl, H.T., Evrard, A.E., Fausti Neto, A., Flaugher, B., Fosalba, P., Frieman, J., Gerdes, D.W., Goldstein, D.A., Gruen, D., Gruendl, R.A., Gutierrez, G., Honscheid, K., Jain, B., James, D.J., Jarvis, M., Kuehn, K., Kuropatkin, N., Lahav, O., Lima, M., March, M., Marshall, J.L., Martini, P., Miller, C.J., Miquel, R., Mohr, J.J., Nichol, R.C., Nord, B., Plazas, A.A., Romer, A.K., Roodman, A., Rykoff, E.S., Sanchez, E., Scarpine, V., Schubnell, M., Sevilla-Noarbe, I., Smith, R.C., Soares-Santos, M., Sobreira, F., Swanson, M.E.C., Tarle, G., Thomas, D., Vikram, V., Walker, A.R., Zhang, Y., and (The DES Collaboration), Cosmology Constraints from Shear Peak Statistics in Dark Energy Survey Science Verification Data, MNRAS, 463, (2016), 3653-3673, https://doi.org/10.1093/mnras/stw2070
  • Khan, A., van Driel, M., Böse, M., Giardini, D., Ceylan, S., Yan, J., Clinton, J., Euchner, F., Lognonné, P., Murdoch, N., Mimoun, D., Panning, M., Knapmeyer, M., Banerdt, W.B., Single-Station and Single-Event Marsquake Location and Inversion for Structure Using Synthetic Martian Waveforms, Phys. Earth Planet. In., 258, (2016), 28-42, https://doi.org/10.1016/j.pepi.2016.05.017
  • Kim, J.A., Casalini, T., Brambilla, D., Leroux, J.-C., Presumed LRP1-Targeting Transport Peptide Delivers β-Secretase Inhibitor to Neurons in Vitro with Limited Efficiency, Sci. Rep., 6, 34297, (2016), https://doi.org/10.1038/srep34297
  • Kruglyakov, M., Geraskin, A., Kuvshinov, A., Novel Accurate and Scalable 3-D MT Forward Solver Based on a Contracting Integral Equation Method, Comp. Geosci., 96, (2016), 208-217, https://doi.org/10.1016/j.cageo.2016.08.017
  • Li, Y., Deschamps, F., Tackley, P.J., Small Post‐perovskite Patches at the Base of Lower Mantle Primordial Reservoirs: Insights from 2‐D Numerical Modeling and Implications for ULVZs, Geophys. Res. Lett., 43, (2016), 3215-3225, https://doi.org/10.1002/2016GL067803
  • Lichtenbert, T., Golabek, G.J., Gerya, T.V., Meyer, M.R., The Effects of Short-Lived Radionuclides and Porosity on the Early Thermo-Mechanical Evolution of Planetesimals, Icarus, 274, (2016), 350-365, https://doi.org/10.1016/j.icarus.2016.03.004
  • Lichtenberg, T., Parker, R.J., Meyer, M.R., Isotopic Enrichment of Forming Planetary Systems from Supernova Pollution, MNRAS, 462, (2016), 3979-3992, https://doi.org/10.1093/mnras/stw1929
  • McCarty, J., Valsson, O., Parrinello, M., Bespoke Bias for Obtaining Free Energy Differences within Variationally Enhanced Sampling, J. Chem. Theory Comput., 12(5), (2016), 2162-2169, https://doi.org/10.1021/acs.jctc.6b00125
  • Milias-Argeitis, A., Oliveira, A.P., Gerosa, L., Falter, L., Sauer, U., Lygeros, J., Elucidation of Genetic Interactions in the Yeast GATA-Factor Network Using Bayesian Model Selection, PLoS Comput. Biol., 12(3), e1004784, https://doi.org/10.1371/journal.pcbi.1004784
  • Núñes Valdez, M., Spanke, H. Th., Spaldin, N.A., Ab Initio Study of the Ferroelectric Strain Dependence and 180° Domain Walls in the Barium Metal Fluorides BaMgF4 and BaZnF4, Phys. Rev. B, 93, 064112, (2016), https://doi.org/10.1103/PhysRevB.93.064112
  • Oreshenko, M., Heng, K., Demory, B.-O., Optical Phase Curves as Diagnostics for Aerosol Composition in Exoplanetary Atmospheres, MNRAS, 457, (2016), 3420-3429, https://doi.org/10.1093/mnras/stw133
  • Orts, J., Wälti, M.A., Marsh, M., Vera, L., Gossert, A.D., Güntert, P., Riek, R., NMR-Based Determination of the 3D Structure of the Ligand–Protein Interaction Site without Protein Resonance Assignment, J. Am. Chem. Soc., 138(13), (2016), 4393-4400, https://doi.org/10.1021/jacs.5b12391
  • Poulikakos, L.V., Gutsche, Ph., McPeak, K.M., Burger, S., Niegemann, J., Hafner, C., Norris, D.J., Optical Chirality Flux as a Useful Far-Field Probe of Chiral Near Fields, ACS Photonics, 3(9), (2016), 1619-1625, https://doi.org/10.1021/acsphotonics.6b00201
  • Ruminy, M., Núñez Valdez, B., Wehringer, B., Bosak, A., Adroja, D.T., Stuhr, U., Iida, K., Kamazawa, K., Pomjakushina, E., Prabakharan, D., Haas, M.K., Bovo, L., Sheptyakov, D., Cervellino, A., Cava, R.J., Kenzelmann, M., Spaldin, N.A., Fennel, T., First-Principles Calculation and Experimental Investigation of Lattice Dynamics in the Rare-Earth Pyrochlores R2Ti2O7 (R=Tb,Dy,Ho), Phys. Rev. B, 93', 214308, (2016), https://doi.org/10.1103/PhysRevB.93.214308
  • Salvalaglio, M., Tiwary, P., Maggioni, G.M., Mazzotti, M., Parrinello, M., Overcoming Time Scale and Finite Size Limitations to Compute Nucleation Rates from Small Scale Well Tempered Metadynamics Simulations, J. Chem. Phys., 145, 211925, https://doi.org/10.1063/1.4966265
  • Schmidiger, D., Povarov, K.Y., Galeski, S., Reynolds, N., Bewley, R., Guidi, T., Ollivier, J., Zheludev, A., Emergent Interacting Spin Islands in a Depleted Strong-Leg Heisenberg Ladder, Phys. Rev. Lett., 116, 257203, (2016), https://doi.org/10.1103/PhysRevLett.116.257203
  • Shao, Sh., Guo, T., Gross, V., Lazare, A., Koh, Ch.Ch., Gillessen, S., Joerger, M., Jochum, W., Aebersold, R., Reproducible Tissue Homogenization and Protein Extraction for Quantitative Proteomics Using MicroPestle-Assisted Pressure-Cycling Technology, J. Proteome Res., 15(6), (2016), 1821-1829, https://doi.org/10.1021/acs.jproteome.5b01136
  • Sheng, J., Liao, J., Gerya, T., Numerical Modeling of Deep Oceanic Slab Dehydration: Implications for the Possible Origin of Far Field Intra-Continental Volcanoes in Northeastern China, J. Asian Earth Sc., 116, (2016), 328-336, https://doi.org/10.1016/j.jseaes.2015.12.022
  • Turi, G., Lachkar, Z., Gruber, N., Münnich, M., Climatic Modulation of Recent Trends in Ocean Acidification in the California Current System, Environ. Res. Lett., 11, 014007, (2016), https://doi.org/10.1088/1748-9326/11/1/014007
  • Valla, M., Wischert, R., Comas-Vives, A., Conley, M.P., Verel, R., Copéret, Ch., Sautet, Ph., Role of Tricoordinate Al Sites in CH3ReO3/Al2O3 Olefin Metathesis Catalysts, J. Am. Chem. Soc., 138(21), (2016), 6774-6785, https://doi.org/10.1021/jacs.6b00447
  • Zintchenko, I., Wang, L., Troyer, M., Ferromagnetism of the Repulsive Atomic Fermi Gas: Three-Body Recombination and Domain Formation, Eur. Phys. J. B, 89, 180, (2016), https://doi.org/10.1140/epjb/e2016-70302-5

2015

  • Altantzis, C., Frouzakis, C.E., Tomboulides, A.G., Boulouchos, K., Direct Numerical Simulation of Circular Expanding Premixed Flames in a Lean Quiescent Hydrogen-Air Mixture: Phenomenology and Detailed Flame Front Analysis, Combust. Flame, 162, (2015), 331-344, https://doi.org/10.1016/j.combustflame.2014.08.005
  • Bellafard, A., Chakravarty, S., Troyer, M., Katzgraber, H.G., The Effect of Quenched Bond Disorder on First-Order Phase Transitions, Ann. Phys., 357, (2015), 66-78, https://doi.org/10.1016/j.aop.2015.03.026
  • Brambilla, A., Schultze, M., Frouzakis, C.E., Mantzaras, J., Bombach, R., Boulouchos, K., An Experimental and Numerical Investigation of Premixed Syngas Combustion Dynamics in Mesoscale Channels with Controlled Wall Temperature Profiles, P. Combus. Inst., 35, (2015), 3429-3437, https://doi.org/10.1016/j.proci.2014.06.131
  • Chang, C., Busha, M.T., Wechsler, R.H., Refregier, A., Amara, A., Rykoff, E., Becker, M.R., Bruderer, C., Gamper, L., Leistedt, B., Peiris, H., Abbott, T., Abdalla, F.B., Balbinot, E., Banerji, M., Bernstein, R.A., Bertin, E., Brooks, D., Carnero, A., Desai, S, da Costa, L.N., Cunha, C.E., Eifler, T., Evrard, A.E., Fausti Neto, A., Gerdes, D., Gruen, D., James, D., Kuehn, K., Maia, M.A.G., Makler, M., Ogando, R., Plazas, A., Sanchez, E., Santiago, B., Schubnell, M., Sevilla-Noarbe, I., Smith, C., Soares-Santos, M., Suchyta, E., Swanson, M.E.C., Tarle, G., Zuntz, J., Modelling the Transfer Function for the Dark Energy Survey, ApJ, 801, (2015), 73
  • Colombo, C., Gatti, S., Ferrari, R., Casalini, T., Cuccato, D., Morosi, L., Zucchetti, M., Moscatelli, D., Self-Assembling Amphiphilic PEGylated Block Copolymers Obtained through RAFT Polymerization for Drug-Delivery Applications, J. Appl. Polym. Sci., 133, 43084, (2015), https://doi.org/10.1002/app.43084
  • Crameri, F., Tackley, P.J., Parameters Controlling Dynamically Self-Consistent Plate Tectonics and Single-Sided Subduction in Global Models of Mantle Convection, J. Geophys. Res. Sol. Ea., 120, (2015), 3680-3706, https://doi.org/10.1002/2014JB011664
  • Duprat-Oualid, S., Yamato, Ph., Schmalholz, S.M., A Dimensional Analysis to Quantify the Thermal Budget Around Lithospheric-Scale Shear Zones, Terra Nova, 27, (2015), 163-168, https://doi.org/10.1111/ter.12144
  • Frouzakis, C.E., Fogla, N., Tomboulides, A.G., Altantzis, C., Matalon, M., Numerical Study of Unstable Hydrogen/air Flames: Shape and Propagation Speed, P. Combus. Inst., 35(1), 1087-1095, https://doi.org/10.1016/j.proci.2014.05.132
  • Furler, Ph., Steinfeld, A., Heat Transfer and Fluid Flow Analysis of a 4 kW Solar Thermochemical Reactor for Ceria Redox Cycling, Chem. Eng. Sci., 137, (2015), 373-383, https://doi.org/10.1016/j.ces.2015.05.056
  • Gerya, T.V., Stern, R.J., Baes, M., Sobolev, S.V., Whattam, S.A., Plate Tectonics on the Earth Triggered by Plume-Induced Subduction Initiation, Nature, 527, (2015), 221-225, https://doi.org/10.1038/nature15752
  • Gukelberger, J., Huang, L., Werner, Ph., On the Dangers of Partial Diagrammatic Summations: Benchmarks for the Two-Dimensional Hubbard Model in the Weak-Coupling Regime, Phys. Rev. B, 91, 235114, (2015), https://doi.org/10.1103/PhysRevB.91.235114
  • Guo, T., Kouvonen, P., Koh, Ch.Ch., Gillet, L.C., Wolski, W.E., Röst, H.L., Rosenberger, G., Collins, B.C., Blum, L.C., Gillessen, S., Joerger, M., Jochum, W., Aebersold, R., Rapid Mass Spectrometric Conversion of Tissue Biopsy Samples into Permanent Quantitative Digital Proteome Maps, Nat. Med., 21, (2015), https://doi.org/10.1038/nm.3807
  • Hagen, O., Hartmann, K., Steel, M., Stadler, T., Age-Dependent Speciation Can Explain the Shape of Empirical Phylogenies, Syst. Biol., 64(3), (2015), 432-440, https://doi.org/10.1093/sysbio/syv001
  • Herrendörfer, R., van Dinther, Y., Gerya, T., Dalguer, L.A., Earthquake Supercycle in Subduction Zones Controlled by the Width of the Seismogenic Zone, Nature Geosci., 8, (2015), 471-471, https://doi.org/10.1038/ngeo2427
  • Husson, L., Yamato, Ph., Bézos, A., Ultraslow, Slow, or Fast Spreading Ridges: Arm Wrestling Between Mantle Convection and Far-Field Tectonics, Earth Planet. Sci. Lett., 429, (2015), 205-215, https://doi.org/10.1016/j.epsl.2015.07.052
  • Katzgraber, H.G., Hamze, F., Zhu, Zh., Ochoa, A.J.,, Munoz-Bauza, H., Seeking Quantum Speedup Through Spin Glasses: The Good, the Bad, and the Ugly, Phys. Rev. X, 5, 031026, (2015), https://doi.org/10.1103/PhysRevX.5.031026
  • Kunszt, P., Blum, L., Hullár, B., Schmid, E., Srebniak, A., Wolski, W., Rinn, B., Elmer, F.-J., Ramakrishnan, Ch., Quandt, A., Malmström, L., iPortal: The Swiss Grid Proteomics Portal: Requirements and New Features Based on Experience and Usability Considerations, Concurr. Comp.-Pract. E., 27, (2015), 433-445, https://doi.org/10.1002/cpe.3294
  • Li, Y., Deschamps, F., Tackley, P.J., Effects of the Post-Perovskite Phase Transition Properties on the Stability and Structure of Primordial Reservoirs in the Lower Mantle of the Earth, Earth Planet. Sci. Lett., 432, (2015), 1-12, https://doi.org/10.1016/j.epsl.2015.09.040
  • Lyngvi, E., Sanhueza, I.A., Schönebeck, F., Dispersion Makes the Difference: Bisligated Transition States Found for the Oxidative Addition of Pd(PtBu3)2 to Ar-OSO2R and Dispersion-Controlled Chemoselectivity in Reactions with Pd[P(iPr)(tBu2)]2, Organometallics, 34(5), (2015), 805-812, https://doi.org/10.1021/om501199t
  • Malmström, L., Bakochi, A., Svensson, G., Kilsgård, O., Lantz, H., Petersson, A.C., Hauri, S., Karlsson, Ch., Malmström, J., Quantitative Proteogenomics of Human Pathogens Using DIA-MS, J. Proteomics, 129, (2015), 98-107, https://doi.org/10.1016/j.jprot.2015.09.012
  • Mirsky, A., Kazandjian, L., Anisimova, M., Antibody-Specific Model of Amino Acid Substitution for Immunological Inferences from Alignments of Antibody Sequences, Mol. Biol. Evol., 32(3), (2014), 806-819, https://doi.org/10.1093/molbev/msu340
  • Nava, M., Quhe, R., Palazzesi, F., Tiwary, P., Parrinello, M., de Broglie Swapping Metadynamics for Quantum and Classical Sampling, J. Chem. Theory Comput., 11, (2015), 5114-5119, https://doi.org/10.1021/acs.jctc.5b00818
  • Opilik, L., Payamyar, P., Szczerbinski, J., Schütz, A.P., Servalli, M., Hungerland, T., Schlüter, A.D., Zenobi, R., Minimally Invasive Characterization of Covalent Monolayer Sheets Using Tip-Enhanced Raman Spectroscopy, ACS Nano, 9(4), (2015), 4252-4259, https://doi.org/10.1021/acsnano.5b00629
  • Owczarz, M., Casalini, T., Motta, A.C., Morbidelli, M., Arosio, P., Contribution of Electrostatics in the Fibril Stability of a Model IonicComplementary Peptide, Biomacromolecules, 16(12), (2015), 3792-3801, https://doi.org/10.1021/acs.biomac.5b01092
  • Paranjape, A., Kovač, K., Hartley, W.G. Pahwa, I., Correlating Galaxy Colour and Halo Concentration: A Tunable Halo Model of Galactic Conformity, MNRAS, 454, (2015), 3030-3048, https://doi.org/10.1093/mnras/stv2137
  • Perego, C., Salvalaglio, M., Parrinello, M., Molecular Dynamics Simulations of Solutions at Constant Chemical Potential, J. Chem. Phys., 142, 144113, (2015), https://doi.org/10.1063/1.4917200
  • Polino, D., Parrinello, M., Combustion Chemistry via Metadynamics: Benzyl Decomposition Revisited, J. Phys. Chem. A, 119(6), (2015), https://doi.org/10.1021/jp5118807
  • Prentner, R., Quack, M., Stohner, J., Willeke, M., Wavepacket Dynamics of the Axially Chiral Molecule Cl–O–O–Cl under Coherent Radiative Excitation and Including Electroweak Parity Violation, J. Phys. Chem. A, 119(51), (2015), 12805-12822, https://doi.org/10.1021/acs.jpca.5b08958
  • Protesescu, L., Yakunin, S., Bodnarchuk, M.I., Krieg, F., Caputo, R., Hendon, Ch. H., Yang, R.X., Walsh, A., Kovalenko, M.V., Nanocrystals of Cesium Lead Halide Perovskites (CsPbX3, X = Cl, Br, and I): Novel Optoelectronic Materials Showing Bright Emission with Wide Color Gamut, Nano Lett., 15(6), (2015), 3692-3696, https://doi.org/10.1021/nl5048779
  • Rapsomaniki, M.A., Cinquemani, E., Giakoumakis, N.N., Kotsantis, P., Lygeros, J., Lygerou, Z., Inference of Protein Kinetics by Stochastic Modeling and Simulation of Fluorescence Recovery after Photobleaching Experiments, Bioinformatics, 31(3), (2015), 355-362, https://doi.org/10.1093/bioinformatics/btu619
  • Reimer, J., Steele-MacInnis, M., Wambach, J.M., Vogel, F., Ion Association in Hydrothermal Sodium Sulfate Solutions Studied by Modulated FT-IR-Raman Spectroscopy and Molecular Dynamics, J. Phys. Chem. B, 119(30), (2015), 9847-9857, https://doi.org/10.1021/acs.jpcb.5b03192
  • Rossinelli, D., Hejazialhosseini, B., van Rees, W., Gazzola, M., Bergdorf, M., Koumoutsakos, P., MRAG-I2D: Multi-Resolution Adapted Grids for Remeshed Vortex Methods on Multicore Architectures, J. Comput. Phys., 288, (2015), 1-18, https://doi.org/10.1016/j.jcp.2015.01.035
  • Salvalaglio, M., Mazzotti, M., Parrinello, M., Urea Homogeneous Nucleation Mechanism Is Solvent Dependent, Faraday Discuss., 179, (2015), 291-307, https://doi.org/10.1039/C4FD00235K
  • Salvalaglio, M., Perego, C., Giberti, F., Mazzotti, M., Parrinello, M., Molecular-Dynamics Simulations of Urea Nucleation from Aqueous Solution, PNAS, 112(1), (2015), E6-E14, https://doi.org/10.1073/pnas.1421192111
  • Shao, Sh., Guo, T., Koh, Ch.Ch., Gillessen, S., Joerger, M., Jochum, W., Aebersold, R., Minimal Sample Requirement for Highly Multiplexed Protein Quantification in Cell Lines and Tissues by PCT-SWATH Mass Spectrometry, Proteomics, 15(21), (2015), 3711-3721, https://doi.org/10.1002/pmic.201500161
  • Shinaoka, H., Hoshino, Sh., Troyer, M., Werner, Ph., Phase Diagram of Pyrochlore Iridates: All-in–All-out Magnetic Ordering and Non-Fermi-Liquid Properties, Phys. Rev. Lett., 115, 156401, (2015), https://doi.org/10.1103/PhysRevLett.115.156401
  • Shinaoka, H., Nomura, Y., Biermann, S., Troyer, M., Werner, Ph., Negative Sign Problem in Continuous-Time Quantum Monte Carlo: Optimal Choice of Single-Particle Basis for Impurity Problems, Phys. Rev. B, 92, 195126, (2015), https://doi.org/10.1103/PhysRevB.92.195126
  • Tiwary, P., Limongelli, V., Salvalaglio, M., Parrinello, M., Kinetics of Protein–ligand Unbinding: Predicting Pathways, Rates, and Rate-Limiting Steps, PNAS, 112(5),(2015), E386-E391, https://doi.org/10.1073/pnas.1424461112
  • Uehara, A., Shinaoka, H., Motome, Y., Analysis of Charge-Spin-Orbital Fluctuations by Ab Initio Calculation and Random Phase Approximation: Application to Non-coplanar Antiferromagnet Cd2Os2O7, Physcs. Proc., 75, (2015), 495-502, https://doi.org/10.1016/j.phpro.2015.12.062
  • van Driel, M., Krischer, L., Stähler, S.C., Hosseini, K., Nissen-Meyer, T., Instaseis: Instant Global Seismograms Based on a Broadband Waveform Database, Solid Earth, 6, (2015), 701-717, https://doi.org/10.5194/se-6-701-2015
  • van Driel, M., Wassermann, J., Pelties, C., Schiemenz, A., Igel, H., Tilt Effects on Moment Tensor Inversion in the Near Field of Active Volcanoes, Geophys. J. Int., 202, (2015), 1711-1721, https://doi.org/10.1093/gji/ggv209
  • Wang, L., Iazzi, M., Corboz, P., Troyer, M., Efficient Continuous-Time Quantum Monte Carlo Method for the Ground State of Correlated Fermions, Phys. Rev. B, 91, 235151, (2015), https://doi.org/10.1103/PhysRevB.91.235151
  • Wang, L., Liu, Y.-H., Imriška, J., Ma, P.N., Troyer, M., Fidelity Susceptibility Made Simple: A Unified Quantum Monte Carlo Approach, Phys. Rev. X, 5, 031007, (2015), https://doi.org/10.1103/PhysRevX.5.031007
  • Wilhelm, M., Davin, E.L., Seneviratne, S.I., Climate Engineering of Vegetated Land for Hot Extremes Mitigation: An Earth System Model Sensitivity Study, J. Geophys. Res. Atmos., 120, (2015), 2612-2623, https://doi.org/10.1002/2014JD022293

2014

  • Allen, S.E., Hsieh, S.-Y., Gutierrez, O., Bode, J.W., Kozlowski, M.C., Concerted Amidation of Activated Esters: Reaction Path and Origins of Selectivity in the Kinetic Resolution of Cyclic Amines via N‑Heterocyclic Carbenes and Hydroxamic Acid Cocatalyzed Acyl Transfer, J. Am. Chem. Soc., 136, (2014), 11783-11791, https://doi.org/10.1021/ja505784w
  • Andresen, J.C., Katzgraber, H.G., Oganesyan, V., Schechter, M., Existence of a Thermodynamic Spin-Glass Phase in the Zero-Concentration Limit of Anisotropic Dipolar Systems, Phys. Rev. X, 4, 041016, (2014), https://doi.org/10.1103/PhysRevX.4.041016
  • Boixo, S., Rønnow, T.F., Isakov, S.V., Wang, Z., Wecker, D., Lidar, D.A., Martinis, J.M., Troyer, M., Evidence for Quantum Annealing with More Than One Hundred Qubits, Nat. Phys., 10, (2014), 218-224, https://doi.org/10.1038/nphys2900
  • Brambilla, A., Frouzakis, C.E., Mantzaras, J., Tomboulides, A., Kerkemeier, S., Boulouchos, K., Detailed Transient Numerical Simulation of H2/air Hetero-/homogeneous Combustion in Platinum-Coated Channels with Conjugate Heat Transfer, Combust. Flame, 161, (2014), 2692-2707, https://doi.org/10.1016/j.combustflame.2014.04.003
  • Carvalho, R., Buzna, L., Bono, F., Masera, M., Arrowsmith, D.K., Helbing, D., Resilience of Natural Gas Networks during Conflicts, Crises and Disruptions, PLoS ONE, 9(3), e90265, (2014), https://doi.org/10.1371/journal.pone.0090265
  • Chen, J., Walther, J.H., Koumoutsakos, P., Strain Engineering of Kapitza Resistance in Few-Layer Graphene, Nano Lett., 14(2), (2014), 819-825, https://doi.org/10.1021/nl404182k
  • Colombi, A., Nissen-Meyer, T., Boschi, L., Giardini, D., Seismic Waveform Inversion for Core–mantle Boundary Topography, Geophys. J. Int., 198, (2014), 55-71, https://doi.org/10.1093/gji/ggu112
  • Crameri, F., Tackley, P.J., Spontaneous Development of Arcuate Single-Sided Subduction in Global 3-D Mantle Convection Models with a Free Surface, J. Geophys. Res. Sol. Ea., 119, (2014), 5921-5942, https://doi.org/10.1002/2014JB010939
  • Cruz-Chu, E.R., Malafeev, A., Pajarskas, T., Pivkin, I.V., Koumoutsakos, P., Structure and Response to Flow of the Glycocalyx Layer, Biophys. J., 106(1), (2014), 232-243, https://doi.org/10.1016/j.bpj.2013.09.060
  • Fox, M., Shuster, D.L., The Influence of Burial Heating on the (U–Th)/He System in Apatite: Grand Canyon Case Study, Earth Planet. Sci. Lett., 397, (2014), 174-183, https://doi.org/10.1016/j.epsl.2014.04.041
  • Giovannetti, G., Casula, M., Werner, Ph., Mauri, F., Capone, M., Downfolding Electron-Phonon Hamiltonians from Ab-Initio Calculations: Application to K3Picene, Phys. Rev. B, 90, 115435, (2014), https://doi.org/10.1103/PhysRevB.90.115435
  • Gukelberger, J., Kozi, E., Pollet, L., Prokof'ev, N., Sigrist, M., Svistunov, B., Troyer, M., p-Wave Superfluidity by Spin-Nematic Fermi Surface Deformation, Phys. Rev. Lett., 113, 195301, (2014), https://doi.org/10.1103/PhysRevLett.113.195301
  • Holme, M.N., Schulz, G., Deyhle, H., Weitkamp, T., Beckmann, F., Lobrinus, J.A., Rikhtegar, F., Kurcuoglu, V., Zanette, I., Saxer, T., Müller, B., Complementary X-Ray Tomography Techniques for Histology-Validated 3D Imaging of Soft and Hard Tissues Using Plaque-Containing Blood Vessels as Examples, Nat. Protoc., 9, (2014), 1401-1415, https://doi.org/10.1038/nprot.2014.091
  • Hung, H.-H., Chua, V., Wang, L., Fiete, G.A., Interaction Effects on Topological Phase Transitions via Numerically Exact Quantum Monte Carlo Calculations, Phys. Rev. B, 89, 235104, (2014), https://doi.org/10.1103/PhysRevB.89.235104
  • Imriška, J., Iazzi, M., Wang, L., Gull, E., Greif, D., Uehlinger, T., Jotzu, G., Tarruell, L., Esslinger, T., Troyer, M., Thermodynamics and Magnetic Properties of the Anisotropic 3D Hubbard Model, Phys. Rev. Lett., 112, 115301, (2014), https://doi.org/10.1103/PhysRevLett.112.115301
  • Iregui, J.O., Corboz, Ph., Troyer, M., Probing the Stability of the Spin-Liquid Phases in the Kitaev-Heisenberg Model Using Tensor Network Algorithms, Phys. Rev. B, 90, 195102, (2014), https://doi.org/10.1103/PhysRevB.90.195102
  • Khan, A., Connolly, J.A.D., Pommier, A., Noir, J., Geophysical Evidence for Melt in the Deep Lunar Interior and Implications for Lunar Evolution, J. Geophys. Res. Planet, 119(10), (2014), 2197-2221, https://doi.org/10.1002/2014JE004661
  • Koyama, T., Khan, A., Kuvshinov, A., Three-Dimensional Electrical Conductivity Structure Beneath Australia from Inversion of Geomagnetic Observatory Data: Evidence for Lateral Variations in Transition-Zone Temperature, Water Content and Melt, Geophys. J. Int, 196, (2014), 1330-1350, https://doi.org/10.1093/gji/ggt455
  • Li, Y., Deschamps, F., Tackley, P.J., Effects of Low-Viscosity Post-Perovskite on the Stability and Structure of Primordial Reservoirs in the Lower Mantle, Geophys. Rev. Lett., 41, (2014), 7089-7097, https://doi.org/10.1002/2014GL061362
  • Li, Y., Deschamps, F., Tackley, P.J., The Stability and Structure of Primordial Reservoirs in the Lower Mantle: Insights from Models of Thermochemical Convection in Three-Dimensional Spherical Geometry, Geophys. J. Int., 199, (2014), 914-930, https://doi.org/10.1093/gji/ggu295
  • Luo, G., Hou, Th.Y., Toward the Finite-Time Blowup of the 3D Axisymmetric Euler Equations: A Numerical Investigation, Multiscale Model. Simul., 12(4), (2014), 1722-1776, https://doi.org/10.1137/140966411
  • Meng, Z.Y.., Hung, H.-H., Lang, Th.C., The Characterization of Topological Properties in Quantum Monte Carlo Simulations of the Kane-Mele-Hubbard Model, Mod. Phys. Lett. B, 28(1), 1430001, (2014), https://doi.org/10.1142/S0217984914300014
  • Parker, R.J., Church, R.P., Davies, M.B., Meyer, M.R., Supernova Enrichment and Dynamical Histories of Solar-Type Stars in Clusters, MNRAS, 437, (2014), 946-958, https://doi.org/10.1093/mnras/stt1957
  • Ren, Zh., Kalscheuer, Th., Greenhalgh, S., Maurer, H., A Finite-Element-Based Domain-Decomposition Approach for Plane Wave 3D Electromagnetic Modeling, Geophysics, 79(6), (2014), E255-E268, https://doi.org/10.1190/geo2013-0376.1
  • Röst, H.L., Rosenberger, G., Navarro, P., Gillet, L., Miladinović, S.M., Schubert, O.T., Wolski, W., Collins, B.C., Malmström, J., Malmström, L., Aebersold, R., OpenSWATH Enables Automated, Targeted Analysis of Data-Independent Acquisition MS Data, Nat. Biotech., 32, (2014), 219-223, https://doi.org/10.1038/nbt.2841
  • Roten D., Fäh, D., Bonilla, F., Quantification of Cyclic Mobility Parameters in Liquefiable Soils from Inversion of Vertical Array Records, B. Seismol. Soc. Am., 104(6), (2014), 3115-3138, https://doi.org/10.1785/0120130329
  • Salvalaglio, M., Tiwary, P., Parrinello, M., Assessing the Reliability of the Dynamics Reconstructed from Metadynamics, J. Chem. Theory Comput., 10(4), (2014), 1420-1425, https://doi.org/10.1021/ct500040r
  • Sternai, P., Jolivet, L., Menant, A., Gerya, T., Driving the Upper Plate Surface Deformation by Slab Rollback and Mantle Flow, Earth Planet. Sci. Lett., 405, (2014), 110-118, https://doi.org/10.1016/j.epsl.2014.08.023
  • Turi, G., Lachkar, Z., Gruber, N., Spatiotemporal Variability and Drivers of pCO2 and Air–sea CO2 Fluxes in the California Current System: An Eddy-Resolving Modeling Study, Biogeosciences, Biogeosciences, 11, (2014), 671-690, https://doi.org/10.5194/bg-11-671-2014
  • van Driel, M., Nissen-Meyer, T., Optimized Viscoelastic Wave Propagation for Weakly Dissipative Media, Geophys. J. Int., 199, (2014), 1078-1093, https://doi.org/10.1093/gji/ggu314
  • van Driel, M., Nissen-Meyer, T., Seismic Wave Propagation in Fully Anisotropic Axisymmetric Media, Geophys. J. Int., 199, (2014), 880-893, https://doi.org/10.1093/gji/ggu269
  • Wang, W., Machta, J., Katzgraber, H.G., Evidence Against a Mean-Field Description of Short-Range Spin Glasses Revealed Through Thermal Boundary Conditions, Phys. Rev. B, 90, 184412, (2014), https://doi.org/10.1103/PhysRevB.90.184412
  • Wischert, R., Florian, P., Copéret, Ch., Massiot, D., Sautet, Ph., Visibility of Al Surface Sites of γ‑Alumina: A Combined Computational and Experimental Point of View, J. Phys. Chem. C, 118(28), (2014), 15292−15299, https://doi.org/10.1021/jp503277m
  • Wisniewska, M., Happonen, L., Kahn, F., Varjosalo, M., Malmström, L., Rosenberger, G., Karlsson, Ch., Cazzamali, G., Pozdnyakova, I., Frick, I.-M., Björck, L., Streicher, W., Malmström, J., Wikström, M., Functional and Structural Properties of a Novel Protein and Virulence Factor (Protein Ship) In Streptococcus Pyogenes, J. Biol. Chem., 289, (2014), 18175-18188, https://doi.org/10.1074/jbc.M114.565978
  • Wittmann, M., Yucesoy, B., Katzgraber, H.G., Machta, J., Young, A.P., Low-Temperature Behavior of the Statistics of the Overlap Distribution in Ising Spin-Glass Models, Phys. Rev. B, 90, 134419, (2014), https://doi.org/10.1103/PhysRevB.90.134419

2013

  • Ahrens, B., Xiao, J., Hartmann, A.K., Katzgraber, H.G., Diluted Antiferromagnets in a Field Seem to Be in a Different Universality Class Than the Random-Field Ising Model, Phys. Rev. B, 88, 174408, (2013), https://doi.org/10.1103/PhysRevB.88.174408
  • Andresen, J.C., Thomas, C.K., Katzgraber, H.G., Schechter, M., Novel Disordering Mechanism in Ferromagnetic Systems with Competing Interactions, Phys. Rev. Lett., 111, 177202, (2013), https://doi.org/10.1103/PhysRevLett.111.177202
  • Andresen, J.C., Zhu, Z., Andrist, R.S., Katzgraber, H.G., Dobrosavljevic, V., Zimanyi, G.T., Self-Organized Criticality in Glassy Spin Systems Requires a Diverging Number of Neighbors, Phys. Rev. Lett., 111, 097203, (2013), https://doi.org/10.1103/PhysRevLett.111.097203
  • Ayral, Th., Biermann, S., Werner, Ph., Screening and Nonlocal Correlations in the Extended Hubbard Model from Self-Consistent Combined GW and Dynamical Mean Field Theory, Phys. Rev. B, 87, 125149, (2013), https://doi.org/10.1103/PhysRevB.87.125149
  • Battich, N., Stoeger, Th., Pelkmans, L., Image-Based Transcriptomics in Thousands of Single Human Cells at Single-Molecule Resolution, Nat. Methods, 10, (2013), 1127-1133, https://doi.org/10.1038/nmeth.2657
  • Bonney, K.J., Proutiere, F., Schoenebeck, F., Dinuclear Pd(i) Complexes—solely Precatalysts? Demonstration of Direct Reactivity of a Pd(i) Dimer with an Aryl Iodide, Chem. Sci., 4, (2013), 4434-4439, https://doi.org/10.1039/C3SC52054D
  • Caputo, R., Exploring the Structure–composition Phase Space of Lithium Borocarbide, LixBC for x ≤ 1, RSC Adv., 3, (2013), 10230-10241, https://doi.org/10.1039/C3RA41396A
  • Chen, L., Gerya, T.V., Zhang, Z.-J., Aitken, A., Li, Z.-H., Liang, X.-F., Formation Mechanism of Steep Convergent Intracontinental Margins: Insights from Numerical Modeling, Geophys. Res. Lett., 40(10), (2013), 2000-2005, https://doi.org/10.1002/grl.50446
  • Chen, L., Gerya, T.V., Zhang, Z., Zhu, G., Duretz, T., Jacoby, W.R., Numerical Modeling of Eastern Tibetan-Type Margin: Influences of Surface Processes, Lithospheric Structure and Crustal Rheology, Gondwana Res., 24, (2013), 1091-1107, https://doi.org/10.1016/j.gr.2013.01.003
  • Coltice, N., Seton, M., Rolf, T., Müller, D.R., Tackley, P.J., Convergence of Tectonic Reconstructions and Mantle Convection Models for Significant Fluctuations in Seafloor Spreading, Earth Planet. Sci. Lett., 383, (2013), 92-100, https://doi.org/10.1016/j.epsl.2013.09.032
  • Corboz, Ph., Lajkó, M., Penc, K., Mila, F., Läuchli, A.M., Competing States in the SU(3) Heisenberg Model on the Honeycomb Lattice: Plaquette Valence-Bond Crystal Versus Dimerized Color-Ordered State, Phys. Rev. B, 87, 195113, (2013), https://doi.org/10.1103/PhysRevB.87.195113
  • Dalquen, D.A., Altenhoff, A.M., Gonnet, G.H., Dessimoz, Ch., The Impact of Gene Duplication, Insertion, Deletion, Lateral Gene Transfer and Sequencing Error on Orthology Inference: A Simulation Study, PLoS ONE, 8(2), e56925, (2013), https://doi.org/10.1371/journal.pone.0056925
  • Duprat-Oualid, S., Yamato, P., Pitra, P., Major Role of Shear Heating in Intracontinental Inverted Metamorphism: Inference from a Thermo-Kinematic Parametric Study, Tectonophysics, 608, (2013), 812-831, https://doi.org/10.1016/j.tecto.2013.07.037
  • Embrechts, P., Hofer, M., Statistical Inference for Copulas in High Dimensions: A Simulation Study, Astin Bull., 43(2), (2013), 81-95, https://doi.org/10.1017/asb.2013.6
  • Gatto, A., Fraternali, F., Read, J.I., Marinacci, F., Lux, H., Walch, S., Unveiling the Corona of the Milky Way via Ram-Pressure Stripping of Dwarf Satellites, MNRAS, 433, (2013), 2749-2763, https://doi.org/10.1093/mnras/stt896
  • Guralnik, B., Jain, M., Herman, F., Paris, R.B., Harrison, T.M., Murray, A.S., Valla, P.G., Rhodes, E.J., Effective Closure Temperature in Leaky And/or Saturating Thermochronometers, Earth Planet. Sci. Lett., 384, (2013), 209-218, https://doi.org/10.1016/j.epsl.2013.10.003
  • He, M., Bode, J.W., E Pluribus Unum: Isolation, Structure Determination, Network Analysis and DFT Studies of a Single Metastable Structure from a Shapeshifting Mixture of 852 Bullvalene Structural Isomers, Org. Biomol. Chem., 11, (2013), 1306-1317, https://doi.org/10.1039/C2OB26954F
  • Hollerbach, R., Nore, C., Marti, P., Vantieghem, S., Luddens, F., Léorat, J., Parity-Breaking Flows in Precessing Spherical Containers, Phys. Rev. E, 87, 0503020, (2013), https://doi.org/10.1103/PhysRevE.87.053020
  • Horný, L., Schaefer, H.F., Ünlü, F., Willeke, M., Theoretical Investigation of the Cyclopropene Radical Cation c-C3H+•4 : Structure, Energetics and Spectroscopic Properties, Mol. Phys., 111, (2013), 2306-2313, https://doi.org/10.1080/00268976.2013.806684
  • Hung, H.-H., Wang, L., Gu, Z.-C., Fiete, G.A., Topological Phase Transition in a Generalized Kane-Mele-Hubbard Model: A Combined Quantum Monte Carlo and Green’s Function Study, Phys. Rev. B, 121113(R), (2013), https://doi.org/10.1103/PhysRevB.87.121113
  • Keller, T., May, D.A., Kaus, B.J.P., Numerical Modelling of Magma Dynamics Coupled to Tectonic Deformation of Lithosphere and Crust, Geophys. J. Int., 195(3), (2013), 1406-1442, https://doi.org/10.1093/gji/ggt306
  • Khan, A., Zunino, A., Deschamps, F., Upper Mantle Compositional Variations and Discontinuity Topography Imaged Beneath Australia from Bayesian Inversion of Surface-Wave Phase Velocities and Thermochemical Modeling, J. Geophys. Res. Sol. Ea., 118(10), (2013), 5285-5306, https://doi.org/10.1002/jgrb.50304
  • Kozik, E., Burovski, E., Scarola, V.W., Troyer, M., Néel Temperature and Thermodynamics of the Half-Filled Three-Dimensional Hubbard Model by Diagrammatic Determinant Monte Carlo, Phys. Rev. B, 87, 205102, (2013), https://doi.org/10.1103/PhysRevB.87.205102
  • Lachkar, Z., Effects of Upwelling Increase on Ocean Acidification in the California and Canary Current Systems, Geophys. Res. Lett., 41, (2013), 90-95, https://doi.org/10.1002/2013GL058726
  • Lachkar, Z., Gruber, N., Response of Biological Production and Air–sea CO2 Fluxes to Upwelling Intensification in the California and Canary Current Systems, J. Marine Syst., 109-110, (2013), 149-160, https://doi.org/10.1016/j.jmarsys.2012.04.003
  • Lacy, A.R., Vogt, A., Boudon, C., Gisselbrecht, J.-P., Schweizer, W.B., Diederich, F., Post-Cycloaddition–Retroelectrocyclization Transformations of Polycyanobutadienes, Eur. J. Org. Chem., 2013, (2013), 869-879, https://doi.org/10.1002/ejoc.201201371
  • Larson, D., Katzgraber, H.G., Moore, M.A., Young, A.P., Spin Glasses in a Field: Three and Four Dimensions as Seen from One Space Dimension, Phys. Rev. B, 87, 024414, (2013), https://doi.org/10.1103/PhysRevB.87.024414
  • Lyngvi, E., Schoenebeck, F., Oxidative Addition Transition States of Pd(0) Complexes in Polar Solvent—a DFT Study Involving Implicit and Explicit Solvation, Tetrahedron, 69, (2013), 5715-5718, https://doi.org/10.1016/j.tet.2013.03.095
  • Matsuda, Y.H., Takeyama, N.A.S., Kageyama, H., Corboz, P., Honecker, A., Manmana, S.R., Foltin, G.R., Schmidt, K.P., Mila, F., Magnetization of SrCu2(BO3)2 in Ultrahigh Magnetic Fields up to 118 T, Phys. Rev. Lett., 111, 137204, (2013), https://doi.org/10.1103/PhysRevLett.111.137204
  • Moonen, P., Gromke, C., Dorer, V., Performance Assessment of Large Eddy Simulation (LES) for Modeling Dispersion in an Urban Street Canyon with Tree Planting, Atmos. Environ., 75, (2013), 66-76, https://doi.org/10.1016/j.atmosenv.2013.04.016
  • Nielsen, M.C., Lyngvi, E., Schoenebeck, F., Chemoselectivity in the Reductive Elimination from High Oxidation State Palladium Complexes – Scrambling Mechanism Uncovered, J. Am. Chem. Soc., 135(5), (2013), 1978-1985, https://doi.org/10.1021/ja312047b
  • Palazzesi, F., Barducci, A., Tollinger, M., Parrinello, M., The Allosteric Communication Pathways in KIX Domain of CBP, PNAS, 110(35), (2013), 14237–14242, https://doi.org/10.1073/pnas.1313548110
  • Parker, R.J., Reggiani, M.M., The Binary Companion Mass Ratio Distribution: An Imprint of the Star Formation Process?, MNRAS, 432, (2013), 2378-2384, https://doi.org/10.1093/mnras/stt600
  • Pavan, G.M., Barducci, A., Albertazzi, L., Parrinello, M., Combining Metadynamics Simulation and Experiments to Characterize Dendrimers in Solution, Soft Matter, 9, (2013), 2593-2597, https://doi.org/10.1039/C3SM27706B
  • Püthe, Ch., Kuvshinov, A., Determination of the 3-D Distribution of Electrical Conductivity in Earth’s Mantle from Swarm Satellite Data: Frequency Domain Approach Based on Inversion of Induced Coefficients, Earth, Planets Sp., 65, 6, (2013), https://doi.org/10.5047/eps.2013.09.004
  • Salvalaglio, M., Vetter, T., Mazzotti, M., Parrinello, M., Controlling and Predicting Crystal Shapes: The Case of Urea, Angew. Chem. Int. Ed., 52, (2013), 13369-13372, https://doi.org/10.1002/anie.201304562
  • Sanhueza, I.A., Wagner, A.M., Sanford, M.S., Schoenebeck, F., On the Role of Anionic Ligands in the Site-Selectivity of Oxidative C–H Functionalization Reactions of Arenes, Chem. Sci., 4, (2013), 2767-2775, https://doi.org/10.1039/C3SC00017F
  • Turi, G., Lachkar, Z., Gruber, N., Spatiotemporal Variability and Drivers of pCO2 and Air–Sea CO2 Fluxes in the California Current System: An Eddy-Resolving Modeling Study, Biogeosciences Disc., 10, (2013), 14043-14091, https://doi.org/10.5194/bgd-10-14043-2013
  • Uehlinger, T., Greif, D., Jotzu, G., Tarruell, L., Esslinger, T., Wang, L., Troyer, M., Double Transfer through Dirac Points in a Tunable Honeycomb Optical Lattice, Eur. Phys. J. Special Topics, 217, (2013), 121-133, https://doi.org/10.1140/epjst/e2013-01761-y
  • Valsson, O., Parrinello, M., Thermodynamical Description of a Quasi-First-Order Phase Transition from the Well-Tempered Ensemble, J. Chem. Theory Comput., 9, (2013), 5267-5276, https://doi.org/10.1021/ct400859f
  • van Dinther, Y., Gerya, T.V., Dalguer, L.A., Mai, P.M., Morra, G., Giardini, D., The Seismic Cycle at Subduction Thrusts: Insights from Seismo-Thermo-Mechanical Models, J. Geophys. Res. Sol. Ea, 118 , (2013), 6183-6202, https://doi.org/10.1002/2013JB010380
  • Wiesinger, J., Sornette, D., Satinover, J., Reverse Engineering Financial Markets with Majority and Minority Games Using Genetic Algorithms, Comput. Econ., 41, (2013), 475-492, https://doi.org/10.1007/s10614-011-9312-9
  • Yarema, M., Caputo, R., Kovalenko, M.V., Precision Synthesis of Colloidal Inorganic Nanocrystals Using Metal and Metalloid Amides, Nanoscale, 5, (2013), 8398-8410, https://doi.org/10.1039/C3NR02076B
  • Yucesoy, B., Machta, J., Katzgraber, H.G., Correlations Between the Dynamics of Parallel Tempering and the Free-Energy Landscape in Spin Glasses, Phys. Rev. E, 87, 012104, (2013), https://doi.org/10.1103/PhysRevE.87.012104

2012

  • Aufiero, M., Proutiere, F., Schoenebeck, F., Redox Reactions in Palladium Catalysis: On the Accelerating and/or Inhibiting Effects of Copper and Silver Salt Additives in CrossCoupling Chemistry Involving Electron-rich Phosphine Ligands, Angew. Chem. Int. Ed., 51, (2012), 7226-7230, https://doi.org/10.1002/anie.201202504
  • Ayral, Th., Werner, Ph., Biermann, S., Spectral Properties of Correlated Materials: Local Vertex and Nonlocal Two-Particle Correlations from Combined GW and Dynamical Mean Field Theory, Phys. Rev. Lett., 109, 226401, (2012), https://doi.org/10.1103/PhysRevLett.109.226401
  • Barylyuk, K., Fritsche, L., Balabin, R.M., Nieckarz, R., Zenobi, R., Gas-Phase Basicity of Several Common MALDI Matrices Measured by a Simple Experimental Approach, RSC Adv., 2, (2012), 1962-1969, https://doi.org/10.1039/C1RA01117K
  • Bauer, B., Corboz, Ph., Läuchli, A.M., Messio, L., Penc, K., Troyer, M., Mila, F., Three-Sublattice Order in the SU(3) Heisenberg Model on the Square and Triangular Lattice, Phys. Rev. B, 85, 125116, (2012), https://doi.org/10.1103/PhysRevB.85.125116
  • Bismuto, A., Terazzi, R., Hinkov, B., Beck, M., Faist, J., Fully Automatized Quantum Cascade Laser Design by Genetic Optimization, Appl. Phys. Lett., 101, 021103, (2012), https://doi.org/10.1063/1.4734389
  • Bombin, H., Andrist, R.S., Ohzeki, M., Katzgraber, H.G., Martin-Delgado, M.A, Strong Resilience of Topological Codes to Depolarization, Phys. Rev. X, 2, 021004, (2012), https://doi.org/10.1103/PhysRevX.2.021004
  • Cincotti, S., Sornette, D., Treleaven, P., Battiston, S., Caldarelli, G, Hommes, C., Kirman, A., An Economic and Financial Exploratory, Eur. Phys. J. Special Topics, 214, (2012), 361-400, https://doi.org/10.1140/epjst/e2012-01699-6
  • Corboz, Ph., Capponi, S., Läuchli, A.M., Bauer, B., Orús, R., Comment on “Topological Quantum Phase Transitions of Attractive Spinless Fermions in a Honeycomb Lattice” By Poletti D. et al., EPL, 98, 27005, (2012), https://doi.org/10.1209/0295-5075/98/27005
  • Corboz, Ph., Penc, K., Mila, F., Läuchli, A.M., Simplex Solids in SU(N) Heisenberg Models on the Kagome and Checkerboard Lattices, Phys. Rev. B, 86, 041106(R), (2012), https://doi.org/10.1103/PhysRevB.86.041106
  • Deschamps, F., Yao, Ch., Tackley, P.J., Sanchez-Valle, C., High Rayleigh Number Thermal Convection in Volumetrically Heated Spherical Shells, J. Geophys. Res. Planet, 117, E09006, (2012), https://doi.org/10.1029/2012JE004090
  • Glöss, A., Brändler, M.P., Klopper, W., Lüthi, H.P., The MP2 Binding Energy of the Ethene Dimer and Its Dependence on the Auxiliary Basis Sets: A Benchmark Study Using a Newly Developed Infrastructure for the Processing of Quantum Chemical Data, Mol. Phys., 110, (2012), 2523-2534, https://doi.org/10.1080/00268976.2012.708793
  • Gonnet, P., Pairwise Verlet Lists: Combining Cell Lists and Verlet Lists to Improve Memory Locality and Parallelism, J. Comput. Chem., 33(1), (2012), 76-81, https://doi.org/10.1002/jcc.21945
  • Hafermann, H., Patton, K.R., Werner, Ph., Improved Estimators for the Self-Energy and Vertex Function in Hybridization-Expansion Continuous-Time Quantum Monte Carlo Simulations, Phys. Rev. B, 85, 205106, (2012), https://doi.org/10.1103/PhysRevB.85.205106
  • Haussener, S., Jerjen, I., Wyss, P., Steinfeld, A., Tomography-Based Determination of Effective Transport Properties for Reacting Porous Media, J. Heat Transf., 134(1), 012601, (2012), https://doi.org/10.1115/1.4004842
  • Hiroi, N., Klann, M., Iba, K., de Heras Ciechomski, P., Yamashita, Sh., Tabira, A., Okuhara, T., Kubojima, T., Okada, Y., Oka, K., Mange, R., Unger, M., Funahashi, A., Koeppl, H., From Microscopy Data to In Silico Environments for In Vivo-Oriented Simulations, J. Bioninform. Sys. Biology, 2012, 7, (2012), https://doi.org/10.1186/1687-4153-2012-7
  • Katzgraber, H.G., Janzen, K., Thomas, C.K., Boolean Decision Problems with Competing Interactions on Scale-Free Networks: Critical Thermodynamics, Phys. Rev. E, 86, 031116, (2012), https://doi.org/10.1103/PhysRevE.86.031116
  • Khan, A., Shankland, T.J., A Geophysical Perspective on Mantle Water Content and Melting: Inverting Electromagnetic Sounding Data Using Laboratory-Based Electrical Conductivity Profiles, Earth Planet. Sci. Lett., 317-318, (2012), 27-43, https://doi.org/10.1016/j.epsl.2011.11.031
  • Kuvshinov, A., Semenov, A., Global 3-D Imaging of Mantle Electrical Conductivity Based on Inversion of Observatory C-Responses—I. An Approach and Its Verification, Geophys. J. Int., 189, (2012), 1335-1352, https://doi.org/10.1111/j.1365-246X.2011.05349.x
  • Livermore, P.W., Hollerbach, R., Successive Elimination of Shear Layers by a Hierarchy of Constraints in Inviscid Spherical-Shell Flows, J. Math. Phys., 53, 073104, https://doi.org/10.1063/1.4736990
  • Lyngvi, E., Bode, J.W., Schoenebeck, F., A Computational Study of the Origin of Stereoinduction in NHC-Catalyzed Annulation Reactions of α,β-Unsaturated Acyl Azoliums, Chem. Sci., 3(3), (2012), 2346-2350, https://doi.org/10.1039/C2SC20331F
  • Mercer, J., Snijder, B., Sacher, R., Burkard, Ch., Bleck, Ch.K.E., Stahlberg, H., Pelkmans, L., Helenius, A., RNAi Screening Reveals Proteasome- and Cullin3-Dependent Stages in Vaccinia Virus Infection, Cell Rep., 2(4), (2012), 1036-1047, https://doi.org/10.1016/j.celrep.2012.09.003
  • Mishra, S., Schwab, Ch., Šukys, J., Multi-Level Monte Carlo Finite Volume Methods for Nonlinear Systems of Conservation Laws in Multi-Dimensions, J. Comput Phys., 231(8), (2012), 3365-3388, https://doi.org/10.1016/j.jcp.2012.01.011
  • Mishra, S., Schwab, Ch., Sukys, J., Multilevel Monte Carlo Finite Volume Methods for Shallow Water Equations with Uncertain Topography in Multi-dimensions, SIAM J. Sci. Comput., 34, (2012), B761-B784, https://doi.org/10.1137/110857295
  • Misselwitz, B., Barrett, N., Kreibich, S., Vonaesch, P., Andritschke, D., Rout, S., Weidner, K., Sormaz, M., Songhet, P., Horvath, P., Chabria, M., Vogel, V., Spori, D.M., Jenny, P., Hardt, W.-D., Near Surface Swimming of Salmonella Typhimurium Explains Target-Site Selection and Cooperative Invasion, PLoS Pathog., 8(7), e1002810, (2012), https://doi.org/10.1371/journal.ppat.1002810
  • Peleg, O., Savin, Th., Kolmakov, G.V., Salib, I.G., Balazs, A.C., Kröger, M., Fibers with Integrated Mechanochemical Switches: Minimalistic Design Principles Derived from Fibronectin, Biophys. J., 103(9), (2012), 1909-1918, https://doi.org/10.1016/j.bpj.2012.09.028
  • Proutiere, F., Aufiero, M., Schoenebeck, F., Reactivity and Stability of Dinuclear Pd(I) Complexes: Studies on the Active Catalytic Species, Insights into Precatalyst Activation and Deactivation, and Application in Highly Selective Cross-Coupling Reactions, J. Am. Chem. Soc., 134(1), (2012), 606-612, https://doi.org/10.1021/ja209424z
  • Rolf, T., Coltice, N., Tackley, P.J., Linking Continental Drift, Plate Tectonics and the Thermal State of the Earth’s Mantle, Earth Planet. Sci. Lett., 351-352, (2012), 134-146, https://doi.org/10.1016/j.epsl.2012.07.011
  • Salvalaglio, M., Vetter, Th., Giberti, F., Mazzotti, M., Parrinello, M., Uncovering Molecular Details of Urea Crystal Growth in the Presence of Additives, J. Am. Chem. Soc., 134(41), (2012), 17221-17233, https://doi.org/10.1021/ja307408x
  • Snijder, B., Sacher, R., Rämö, P., Liberali, P., Mench, K., Wolfrum, N., Burleigh, L., Scott, C.C., Verheije, M.H., Mercer, J., Moese, S., Herger, Th., Theusner, K., Jurgeit, A., Lamparter, D., Balistreri, G., Schelhaas, M., De Haan, C.A.M., Marjomäki, V., Hyypiä, T., Rottier, P.J.M., Sodeik, B., Marsh, M., Gruenberg, J., Amara, A., Greber, U., Helenius, A., Pelkmans, L., Single-Cell Analysis of Population Context Advances RNAi Screening at Multiple Levels, Mol. Syst. Biol., 8, 579, (2012), https://doi.org/10.1038/msb.2012.9
  • Söderhjelm, P., Tribello, G.A., Parrinello, M., Locating Binding Poses in Protein-Ligand Systems Using Reconnaissance Metadynamics, PNAS, 109(14), 5170-5175, (2012), https://doi.org/10.1073/pnas.1201940109
  • Tancini, F., Wu, Y.-L., Schweizer, W.B., Gisselbrecht, J.-P., Boudon, C., Jarowski, P.D., Beels, M.T., Biaggio, I., Diederich, F., 1,1-Dicyano-4-[4-(diethylamino)phenyl]buta-1,3-dienes: Structure–Property Relationships, Eur. J. Org. Chem., 2012, (2012), 2756-2765, https://doi.org/10.1002/ejoc.201200111
  • Van Houcke, K., Werner, F., Kozik, E., Prokof'ev, N., Svistunov, B., Ku, M.J.H., Sommer, A.T., Cheuk, L.W., Schirotzek, A., Zwierlein, M.W., Feynman Diagrams Versus Fermi-Gas Feynman Emulator, Nat. Phys., 8, (2012), 366-370, https://doi.org/10.1038/nphys2273
  • Verdolino, V., Baldini, L., Palazzesi, F., Giberti, F., Parrinello, M., Combined Computational and Experimental NMR Study of Calix[4]arene Derivatives, J. Phys. Chem. C, 116(44), (2012), 23441-23452, https://doi.org/10.1021/jp307895x
  • Weis, P., Driesner, T., Heinrich, C.A., Porphyry-Copper Ore Shells Form at Stable Pressure-Temperature Fronts Within Dynamic Fluid Plumes, Science, 338, (2012), 1613-1616, https://doi.org/10.1126/science.1225009
    (Reference to Brutus is in the supplementary material)
  • Werner, Ph., Casula, M., Miyake, T., Aryasetiawan, F., Millis, A.J., Biermann, S., Satellites and Large Doping and Temperature Dependence of Electronic Properties in Hole-Doped BaFe2As2, Nature Phys., 8, (2012), 331-337, https://doi.org/10.1038/nphys2250
  • Wischert, R., Laurent, P., Copéret, Ch., Delbecq, F., Sautet, Ph., γ-Alumina: The Essential and Unexpected Role of Water for the Structure, Stability, and Reactivity of “Defect” Sites, J. Am. Chem. Soc., 134(35), (2012), 14430-14449, https://doi.org/10.1021/ja3042383
  • Wu, Y.-L., Tancini, F., Schweizer, W.B., Paunescu, D., Boudon, C., Gisselbrecht, J.-P., Jarowski, P.D., Dalcanale, E., Diederich, F., Proacetylenic Reactivity of a Push–Pull Buta-1,2,3-triene: New Chromophores and Supramolecular Systems, Chem. Asian J., 2012, (2012), 1185-1190, https://doi.org/10.1002/asia.201100997
  • Zhang, X., Hu, M., Giapis, K.P., Poulikakos, D., Schemes for and Mechanisms of Reduction in Thermal Conductivity in Nanostructured Thermoelectrics, J. Heat Transf., 134(10), 102402, (2012), https://doi.org/10.1115/1.4006750
  • Zhang, X., Hu, M., Poulikakos, D., A Low-Frequency Wave Motion Mechanism Enables Efficient Energy Transport in Carbon Nanotubes at High Heat Fluxes, Nano Lett., 12(7), (2012), 3410-3416, https://doi.org/10.1021/nl300261r
  • Zhou, L., Li, Z., Zou, Y., Wang, Q., Sanhueza, I.A., Schoenebeck, F., Goeke, A., Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G, J. Am. Chem. Soc., 134(49), (2012), https://doi.org/10.1021/ja310002m

2011

  • Andanson, J.-M., Beier, M.J., Baiker, A., Binary Ionic Liquids with a Common Cation: Insight into Nanoscopic Mixing by Infrared Spectroscopy, J. Phys. Chem. Lett., 2, (2011), 2959-2964, https://doi.org/10.1021/jz201323a
  • Andrist, R.S., Katzgraber, H.G., Bombin, H., Martin-Delgado, M.A., Tricolored Lattice Gauge Theory with Randomness: Fault Tolerance in Topological Color Codes, New J. Phys., 13, 083006, (2011), https://doi.org/10.1088/1367-2630/13/8/083006
  • Anstaett, Ph., Schoenebeck, F., Reductive Elimination of ArCF3 from Bidentate PdII Complexes: A Computational Study, Chem. Eur. J., 17, (2011), 12340-12346, https://doi.org/10.1002/chem.201101373
  • Barducci, A., Bonomi, M., Derreumaux, Ph., Assessing the Quality of the OPEP Coarse-Grained Force Field, J. Chem. Theory Comput., 7(6), (2011), 1928-1934, https://doi.org/10.1021/ct100646f
  • Blanco-Quintero, I.F., Gerya, T.V., García‐Casco, A., Castro, An., Subduction of Young Oceanic Plates: A Numerical Study with Application to Aborted Thermal‐Chemical Plumes, Geochem. Geophys. Geosyst., 12(10), Q10012, (2011), https://doi.org/10.1029/2011GC003717
  • Corboz, Ph., Läuchli, A.M., Penc, K., Troyer, M., Mila, F., Simultaneous Dimerization and SU(4) Symmetry Breaking of 4-Color Fermions on the Square Lattice, Phys. Rev. Lett., 107, 215301, (2011), https://doi.org/10.1103/PhysRevLett.107.215301
  • Deschamps, F., Kaminski, E., Tackley, P.J., A Deep Mantle Origin for the Primitive Signature of Ocean Island Basalt, Nat. Geosci., 4, (2011), 8799-882, https://doi.org/10.1038/ngeo1295
  • Dessimoz, Ch., Zoller, S., Manousaki, T., Qiu, H., Meyer, A., Kuraku, Sh., Comparative Genomics Approach to Detecting Split-Coding Regions in a Low-Coverage Genome: Lessons from the Chimaera Callorhinchus Milii (Holocephali, Chondrichthyes), Brief. Bioinofm., 12(5), (2011), 474-484, https://doi.org/10.1093/bib/bbr038
  • Endres, M., Cheneau, M., Fukuhara, T., Weitenberg, C., Schauss, P., Gross, C., Mazza, L., Bañuls, M.C., Pollet, L., Bloch, I., Kuhr, S., Observation of Correlated Particle-Hole Pairs and String Order in Low-Dimensional Mott Insulators, Science, 334, (2011), 200-203, https://doi.org/10.1126/science.1209284
  • Fuchs, S., Gull, E., Pollet, L., Burovski, E., Kozik, E., Pruschke, Th., Troyer, M., Thermodynamics of the 3D Hubbard Model on Approaching the Néel Transition, Phys. Rev. Lett., 106, 030401, (2011), https://doi.org/10.1103/PhysRevLett.106.030401
  • Ganesh, R., Isakov, S.V., Paramekanti, A., Néel to Dimer Transition in Spin-S Antiferromagnets: Comparing Bond Operator Theory with Quantum Monte Carlo Simulations for Bilayer Heisenberg Models, Phys. Rev. B, 84, 214412, (2011), https://doi.org/10.1103/PhysRevB.84.214412
  • Goicochea, J.V., Hu, M., Michel, B., Poulikakos, D., Surface Functionalization Mechanisms of Enhancing Heat Transfer at Solid-Liquid Interfaces, J. Heat Transf., 133(8), 082401, (2011), https://doi.org/10.1115/1.4003533
  • Grasso, G.I., Arena, G., Bellia, F., Maccarrone, G., Parinello, M., Pietropaolo, A., Vecchio, G., Rizzarelli, E., Intramolecular Weak Interactions in the Thermodynamic Stereoselectivity of Copper(II) Complexes with Carnosine–Trehalose Conjugates, Chem. Eur. J., 17, (2011), 9448-9455, https://doi.org/10.1002/chem.201100313
  • Gull, E., Staar, P., Fuchs, S., Nukala, Ph., Summers, M.S., Pruschke, T., Schulthess, T.C., Maier, Th., Submatrix Updates for the Continuous-Time Auxiliary-Field Algorithm, Phys. Rev. B, 83, 075122, (2011), https://doi.org/10.1103/PhysRevB.83.075122
  • Helmuth, J.A., Reboux, S., Sbalzarini, I.F., Exact Stochastic Simulations of Intra-Cellular Transport by Mechanically Coupled Molecular Motors, J. Comput. Sci., 2(4), (2011), 324-334, https://doi.org/10.1016/j.jocs.2011.08.006
  • Horta, B.A.C., Fuchs, P.F.J., van Gunsteren, W.F., Hünenberger, Ph.H., New Interaction Parameters for Oxygen Compounds in the GROMOS Force Field: Improved Pure-Liquid and Solvation Properties for Alcohols, Ethers, Aldehydes, Ketones, Carboxylic Acids, and Esters, J. Chem. Theory Comput., 7(4), (2011), 1016-1031, https://doi.org/10.1021/ct1006407
  • Hu, M., Giapis, K.P., Goicochea, J.V., Zhang, X., Poulikakos, D., Significant Reduction of Thermal Conductivity in Si/Ge Core−Shell Nanowires, Nano Lett., 11(2), (2011), 618-623, https://doi.org/10.1021/nl103718a
  • Hu, M., Giapis, K.P., Poulikakos, D., Interfacial Mixing During Annealing of Zinc Oxide Nanoparticle Junctions, Appl. Phys. Lett., 98, 211904, (2011), http://dx.doi.org/10.1063/1.3593487
  • Hutter, C., Zenklusen, A., Kuhn, S., von Rohr, Ph.R., Large Eddy Simulation of Flow Through a Streamwise-Periodic Structure, Chem. Eng. Soc., 66(3), (2011), 519-529, https://doi.org/10.1016/j.ces.2010.11.015
  • Isakov, S.V., Hastings, M.B., Melko, R.G., Topological Entanglement Entropy of a Bose–Hubbard Spin Liquid, Nature Phys., 7, (2011), 772-775, https://doi.org/10.1038/nphys2036
  • Kappeler, R., Kaspar, P., Jackel, H., Loss-Relevant Structural Imperfections in Substrate-Type Photonic Crystal Waveguides, J. Lightwave Technol., 29(21), (2011), 3156-3166, https://doi.org/10.1109/JLT.2011.2167218
  • Khan, A, Zunino, A., Deschamps, F., The Thermo-Chemical and Physical Structure Beneath the North American Continent from Bayesian Inversion of Surface-Wave Phase Velocities, J. Geophys. Res. Sol. Ea., 116(9), JB008380, (2011), http://dx.doi.org/10.1029/2011JB008380
  • Lachkar, Z., Gruber, N., What Controls Biological Production in Coastal Upwelling Systems? Insights from a Comparative Modeling Study, Biogeosciences, 8, (2011), 2961-2976, https://doi.org/10.5194/bg-8-2961-2011
  • Misselwitz, B., Dilling, S., Vonaesch, P., Sacher, R., Snijder, B., Schlumberger, M., Rout, S., Stark, M., von Mering, Ch., Pelkmans, L., Hardt, W.-D., RNAi Screen of Salmonella Invasion Shows Role of COPI in Membrane Targeting of Cholesterol and Cdc42, Mol. Syst. Biol., 7(1), 474, (2011), https://doi.org/10.1038/msb.2011.7
  • Misselwitz, B., Kreibich, S.K., Rout, S., Stecher, B., Periaswamy, B., Hardt, W.-D., Salmonella Enterica Serovar Typhimurium Binds to HeLa Cells via Fim-Mediated Reversible Adhesion and Irreversible Type Three Secretion System 1-Mediated Docking, Infect. Immun., 79(1), (2011), 330-341, https://doi.org/10.1128/IAI.00581-10
  • Nakagawa, T., Effect of a Stably Stratified Layer Near the Outer Boundary in Numerical Simulations of a Magnetohydrodynamic Dynamo in a Rotating Spherical Shell and Its Implications for Earth’s Core, Phys. Earth Planet. In., 187, (2011), 342-352, https://doi.org/10.1016/j.pepi.2011.06.001
  • Nakagawa, T., Tackley, P.J., Effects of Low-Viscosity Post-Perovskite on Thermo-Chemical Mantle Convection in a 3-D Spherical Shell, Geophys. Rev. Lett., 38(4), L04309, (2011), https://doi.org/10.1029/2010GL046494
  • Ohzeki, M., Thomas, C.K., Katzgraber, H.G., Bombin, H., Martin-Delgado, M.A., Universality in Phase Boundary Slopes for Spin Glasses on Self-Dual Lattices, J. Stat. Mech., 2011, P02004, (2011), https://doi.org/10.1088/1742-5468/2011/02/P02004
  • Pietropaolo, A., Branduardi, D., Bonomi, M., Parrinello, M., A Chirality-Based Metrics for Free-Energy Calculations in Biomolecular Systems, J. Comput. Chem., 32, (2011), 2627-2637, https://doi.org/10.1002/jcc.21842
  • Proutiere, F., Schoenebeck, F., Solvent Effect on Palladium-Catalyzed Cross-Coupling Reactions and Implications on the Active Catalytic Species, Angew. Chem. Int. Ed., 50, (2011), 8192-8195, http://dx.doi.org/10.1002/anie.201101746
  • Rossinelli, D., Conti, Ch., Koumoutsakos, P., Mesh–Particle Interpolations on Graphics Processing Units and Multicore Central Processing Units, Phil. Trans. R. Soc. A, 369, (2011), 2164-2175, https://doi.org/10.1098/rsta.2011.0074
  • Rossinelli, D., Hejazialhosseini, B., Spampinato, D.G., Koumoutsakos, P., Multicore/Multi-GPU Accelerated Simulations of Multiphase Compressible Flows Using Wavelet Adapted Grids, SIAM J. Sci. Comput., 33(2), 512-540, https://doi.org/10.1137/100795930
  • Yang, K.-Y., Kozik, E., Wang, X., Troyer, M., Diagrammatic Quantum Monte Carlo Solution of the Two-Dimensional Cooperon-Fermion Model, Phys. Rev. B, 93, 214516, (2011), https://doi.org/10.1103/PhysRevB.83.214516

2010

  • Bakr, W.S., Peng, A., Tai, M.E., Ma, R., Simon, J., Gillen J.I., Fölling, S., Pollet, L., Greiner, M., Probing the Superfluid–to–Mott Insulator Transition at the Single-Atom Level, Science, 329, (2010), 547-550, https://doi.org/10.1126/science.1192368
  • Eckstein, M., Kollar, M., Werner, Ph., Interaction Quench in the Hubbard Model: Relaxation of the Spectral Function and the Optical Conductivity, Phys. Rev. B, 81, 115131, (2010), https://doi.org/10.1103/PhysRevB.81.115131
  • Eckstein, M., Werner, Ph., Nonequilibrium Dynamical Mean-Field Calculations Based on the Noncrossing Approximation and Its Generalizations, Phys. Rev. B, 82, 115115, (2010), https://doi.org/10.1103/PhysRevB.82.115115
  • Gull, E., Ferrero, M., Parcollet, O., Georges, A., Millis, A.J., Momentum-Space Anisotropy and Pseudogaps: A Comparative Cluster Dynamical Mean-Field Analysis of the Doping-Driven Metal-Insulator Transition in the Two-Dimensional Hubbard Model, Phys. Rev. B, 82, 155101, (2010), https://doi.org/10.1103/PhysRevB.82.155101
  • Gull, E., Reichman, D.R., Millis, A.J., Bold-Line Diagrammatic Monte Carlo Method: General Formulation and Application to Expansion Around the Noncrossing Approximation, Phys. Rev. B, 82, 075109, (2010), https://doi.org/10.1103/PhysRevB.82.075109
  • Hu, M., Giapis, K.P., Goicochea, J.V., Poulikakos, D., Surface Segregation of Bimetallic Alloys in Nanoscale Confinement, Appl. Phys. Lett., 97, 153107, (2010), https://doi.org/10.1063/1.3500825
  • Hu, M., Goicochea, J.V., Michel, B., Poulikakos, D., Water Nanoconfinement Induced Thermal Enhancement at Hydrophilic Quartz Interfaces, Nano Lett., 10(1), (2010), 279-285, https://doi.org/10.1021/nl9034658
  • Hu, M., Poulikakos, D., Grigoropoulos, C.P., Pan, H., Recrystallization of Picosecond Laser-Melted ZnO Nanoparticles in a Liquid: A Molecular Dynamics Study, J. Chem. Phys., 132, 164504, (2010), https://doi.org/10.1063/1.3407438
  • Katzgraber, H.G., Bombin, H., Andrist, R.S., Martin-Delgado, M.A., Topological Color Codes on Union Jack Lattices: a Stable Implementation of the Whole Clifford Group, Phys. Rev. A, 81, 012319, (2010), https://doi.org/10.1103/PhysRevA.81.012319
  • Larson, D., Katzgraber, H.G., Moore, M.A., Young, A.P., Numerical Studies of a One-Dimensional Three-Spin Spin-Glass Model with Long-Range Interactions, Phys. Rev. B, 81, 064415, https://doi.org/10.1103/PhysRevB.81.064415
  • Lin, N., Gull, E., Millis, A.J., Physics of the Pseudogap in Eight-Site Cluster Dynamical Mean-Field Theory: Photoemission, Raman Scattering, and In-Plane and c-Axis Conductivity, Phys. Rev. B, 82, 045104, (2010), https://doi.org/10.1103/PhysRevB.82.045104
  • Ma, P.N., Pollet, L., Troyer, M., Measuring the Equation of State of Trapped Ultracold Bosonic Systems in an Optical Lattice with in Situ Density Imaging, Phys. Rev. A, 82, 033627, (2010), https://doi.org/10.1103/PhysRevA.82.033627
  • Mayer, L., Kazantzidis, S., Escala, A., Callegari, S., Direct Formation of Supermassive Black Holes via Multi-Scale Gas Inflows in Galaxy Mergers, Nature, 466, (2010), 1082-1084, https://doi.org/10.1038/nature09294
  • Misselwitz, B., Strittmatter, G., Periaswamy, B., Schlumberger, M.C., Rout, S., Horvath, P., Kozak, K., Hardt, W.-D., Enhanced CellClassifier: a Multi-Class Classification Tool for Microscopy Images, BMC Bioinformatics, 11, 30, (2010), https://doi.org/10.1186/1471-2105-11-30
  • Nakagawa, T., Tackley, P.J., Influence of Initial Cmb Temperature and Other Parameters on the Thermal Evolution of Earth’s Core Resulting From Thermochemical Spherical Mantle Convection, Geochem. Geophys. Geosyst., 11(6), Q06001, (2010), https://doi.org/10.1029/2010GC003031
  • Nakagawa, T., Tackley, P.J., Deschamps, F., Connolly, J.A.D., The Influence of MORB and Harzburgite Composition on Thermo-Chemical Mantle Convection in a 3-D Spherical Shell with Self-Consistently Calculated Mineral Physics, Earth Planet. Sci. Lett., 296, (2010), 403-412, https://doi.org/10.1016/j.epsl.2010.05.026
  • Rossinelli, D., Hejazialhosseini, B., Bergdorf, M., Koumoutsakos, P., Wavelet-Adaptive Solvers on Multi-Core Architectures for the Simulation of Complex Systems, Concurr. Comp. Pract. E., 23(2), (2010), 172-186, https://doi.org/10.1002/cpe.1639
  • Trotzky, S., Pollet, L., Gerbier, F., Schnorrberger, U., Bloch, I., Prokof'ev, N.V., Svistunov, B., Troyer, M., Suppression of the Critical Temperature for Superfluidity Near the Mott Transition, Nat. Phys., 6, (2010), 998-1004, https://doi.org/10.1038/nphys1799
  • Valla, P.G., Herman, F., van der Beek, P.A., Braun, J., Inversion of Thermochronological Age-Elevation Profiles to Extract Independent Estimates of Denudation and Relief History — I: Theory and Conceptual Model, Earth Planet. Sc. Lett., 295, (2010), 511-522, https://doi.org/10.1016/j.epsl.2010.04.033
  • Werner, Ph., Millis, A.J., Dynamical Screening in Correlated Electron Materials, Phys. Rev. Lett., 104, 146401, (2010), https://doi.org/10.1103/PhysRevLett.104.146401
  • Werner, Ph., Oka, T., Eckstein, M., Millis, A.J., Weak-Coupling Quantum Monte Carlo Calculations on the Keldysh Contour: Theory and Application to the Current-Voltage Characteristics of the Anderson Model, Phys. Rev. B, 81, 035108, (2010), https://doi.org/10.1103/PhysRevB.81.035108
  • Yamada, M., Schweizer, W.B., Schönebeck, F., Diederich, F., Unprecedented Thermal Rearrangement of Push–pull-Chromophore–[60]fullerene Conjugates: Formation of Chiral 1,2,9,12-Tetrakis-Adducts, Chem. Commun., 46, (2010), 5334-5336, https://doi.org/10.1039/C0CC00881H

2009

  • Bonomi, M., Barducci, A., Parrinello, M., Reconstructing the Equilibrium Boltzmann Distribution from Well-Tempered Metadynamics, J. Comput. Chem., 30, (2009), 1615-1621, https://doi.org/10.1002/jcc.21305
  • Gull, E., Parcollet, O., Werner, Ph., Millis, A.J., Momentum-Sector-Selective Metal-Insulator Transition in the Eight-Site Dynamical Mean-Field Approximation to the Hubbard Model in Two Dimensions, Phys. Rev. B, 80, 245102, (2009), https://doi.org/10.1103/PhysRevB.80.245102
  • Hu., M., Goicochea, J.V., Michel, B., Poulikakos, D., Thermal Rectification at Water/Functionalized Silica Interfaces, Appl. Phys. Lett., 95, 151903, (2009), https://doi.org/10.1063/1.3247882
  • Läuchli, A.M., Werner, Ph., Krylov Implementation of the Hybridization Expansion Impurity Solver and Application to 5-Orbital Models, Phys. Rev. B, 80, 235117, (2009), https://doi.org/10.1103/PhysRevB.80.235117
  • Lin, N., Gull, E., Millis, A.J., Optical Conductivity from Cluster Dynamical Mean-Field Theory: Formalism and Application to High-Temperature Superconductors, Phys. Rev. B, 80, 161105(R), (2009), https://doi.org/10.1103/PhysRevB.80.161105
  • Pollet, L., Prokof'ev, N.V., Svistunov, B.V., Troyer, M., Absence of a Direct Superfluid to Mott Insulator Transition in Disordered Bose Systems, Phys. Rev. Lett., 103, 140402, (2009), https://doi.org/10.1103/PhysRevLett.103.140402
  • Söyler, Ş.G., Kuklov, A.B., Pollet, L., Prokof'ev, N.V., Svistunov, B.V., Underlying Mechanism for the Giant Isochoric Compressibility of Solid 4He: Superclimb of Dislocations, Phys. Rev. Lett., 103, 175301, (2009), https://doi.org/10.1103/PhysRevLett.103.175301
  • Werner, Ph., Gull, E., Millis, A.J., Metal-Insulator Phase Diagram and Orbital Selectivity in Three-Orbital Models with Rotationally Invariant Hund Coupling, Phys. Rev. B, 79, 115119, (2009), https://doi.org/10.1103/PhysRevB.79.115119
  • Werner, Ph., Gull, E., Parcollet, O., Millis, A.J., Momentum-Selective Metal-Insulator Transition in the Two-Dimensional Hubbard Model: An 8-Site Dynamical Cluster Approximation Study, Phys. Rev. B, 80, 045120, (2009), https://doi.org/10.1103/PhysRevB.80.045120

2008

  • Gerbier, F., Trotzky, S., Fölling, S., Schnorrberger, U., Thompson, J.D., Widera, A., Bloch, I., Pollet, L., Troyer, M., Capogrosso-Sansone, B., Prokof'ev, N.V., Svistunov, B.V., Expansion of a Quantum Gas Released from an Optical Lattice, Phys. Rev. Lett., 101, 155303, (2008), https://doi.org/10.1103/PhysRevLett.101.155303
  • Gull, E., Werner, Ph., Wang, X., Troyer, M., Millis, A.J., Local Order and the Gapped Phase of the Hubbard Model: A Plaquette Dynamical Mean-Field Investigation, EPL, 84, 37009, (2008), https://doi.org/10.1209/0295-5075/84/37009

Publications referencing the HPC team without specifying the cluster that was used

2022

  • Cai, Zh.-F., Käser, T., Kumar, N., Zenobi, R., Visualizing On-Surface Decomposition Chemistry at the Nanoscale Using Tip-Enhanced Raman Spectroscopy, J. Phys. Chem. Lett., 13, (2022), 4864-4870, https://doi.org/10.1021/acs.jpclett.2c01112
  • Cai, Zh.-F., Merino, J.P., Fang, W., Kumar, N., Richardson, J.O., De Feyter, S., Zenobi, R., Molecular-Level Insights on Reactive Arrangement in On-Surface Photocatalytic Coupling Reactions Using Tip-Enhanced Raman Spectroscopy, J. Am. Chem. Soc., 144, (2022), 538-546, https://doi.org/10.1021/jacs.1c11263
  • Shao, F., Zheng, L., Lan, J., Zenobi, R., Nanoscale Chemical Imaging of Coadsorbed Thiolate Self-Assembled Monolayers on Au(111) by Tip-Enhanced Raman Spectroscopy, Anal. Chem., 94, (2022), 1645-1653, https://doi.org/10.1021/acs.analchem.1c03968
  • Zheng, L.-Q., Yang, S., Krähenbühl, S., Rybkin, V.V, Lan, J., Aprahamian, I., Zenobi, R., Effect of the Alkyl Linker Length on the Photoisomerization of Hydrazone Switches on Metal Surfaces, Mater. Today Chem., 24, 100797, (2022)

2021

  • Bartolomeo, G.L., Zhang, Y., Kumar, N., Zenobi, R., Molecular Perturbation Effects in AFM-Based Tip-Enhanced Raman Spectroscopy: Contact versus Tapping Mode, Anal. Chem., 93, (2021), 15358-15364, https://doi.org/10.1021/acs.analchem.1c03004
  • Cai, Zh.-F., Zheng, L.-Q., Zhang, Y., Zenobi, R., Molecular-Scale Chemical Imaging of the Orientation of an OnSurface Coordination Complex by Tip-Enhanced Raman Spectroscopy, J. Am. Chem. Soc., 143, (2021), 12380-12386, https://doi.org/10.1021/jacs.1c06366
  • Klose, D., Holla, A., Gmeiner, Ch., Nettels, D., Ritsch, I., Bross, N., Yulikov, M., Allain, F.H.-T., Schuler, B., Jeschke, G., Resolving Distance Variations by Single-Molecule FRET and EPR Spectroscopy Using Rotamer Libraries, Biophys. J., 120(21), (2021), 4842-4858, https://doi.org/10.1016/j.bpj.2021.09.021

2020

  • Yin, H., Zhen, L.-Q., Fang, W., Lai, Y.-H., Porenta, N., Goubert, G., Zhang, H., Su, H.-Sh., Ren, B., Richardson, J.O., Li, J.-F., Zenobi, R., Nanometre-Scale Spectroscopic Visualization of Catalytic Sites During a Hydrogenation Reaction on a Pd/Au Bimetallic Catalyst, Nat. Catal., 3, (2020), 834-842, https://doi.org/10.1038/s41929-020-00511-y

2019

  • Grimmel, S.A., Reiher, M., The Electrostatic Potential as a Descriptor for the Protonation Propensity in Automated Exploration of Reaction Mechanisms, Faraday Discuss., 2019, (2019), 443-463, https://doi.org/10.1039/c9fd00061e
  • Zheng, L.-Q., Servalli, M., Schlüter, A.D., Zenobi, R., Tip-Enhanced Raman Spectroscopy for Structural Analysis of Two-Dimensional Covalent Monolayers Synthesized on Water and on Au (111), Chem. Sci., 10, (2019), 9673-9678, https://doi.org/10.1039/C9SC03296G
  • Zheng, L.-Q., Lan, J., Gyr, L., Goubert, G., Qian, H., Aprahamian, I., Zenobi, R., Solution Phase and Surface Photoisomerization of a Hydrazone Switch with a Long Thermal Half-Life, J. Am. Chem. Soc., 141, (2019), 17637-17645, https://doi.org/10.1021/jacs.9b07057

2018

  • Zheng, L.-Q., Wang, X., Shao, F., Hegner, M., Zenobi, R., Nanoscale Chemical Imaging of Reversible Photoisomerization of an Azobenzene-Thiol Self-Assembled Monolayer by Tip-Enhanced Raman Spectroscopy, Angew. Chem., 130(4), (2018), 1037-1041, https://doi.org/10.1002/ange.201710443

2016

  • Dai, W., Shao, F., Szczerbiński, J., McCaffrey, R., Zenobi, R., Jin, Y., Schlüter, A.D., Zhang, W., Synthesis of a Two-Dimensional Covalent Organic Monolayer through Dynamic Imine Chemistry at the Air/Water Interface, Angew. Chem., 128(1), (2016), 221-225, https://doi.org/10.1002/ange.201508473

2013

2012

  • Eshet, H., Khaliullin, R.Z., Kühne, Th.D., Behler, J., Parrinello, M., Microscopic Origins of the Anomalous Melting Behavior of Sodium under High Pressure, Phys. Rev. Lett., 108, 115701, (2012), https://doi.org/10.1103/PhysRevLett.108.115701
  • Hassanali, A., Cuny, J., Ceriotti, M., Pickard, Ch.J., Parrinello, M., The Fuzzy Quantum Proton in the Hydrogen Chloride Hydrates, J. Am. Chem. Soc., 134, (2012), 8557-8569, https://doi.org/10.1021/ja3014727

2011

  • Khaliullin, R.Z., Eshet, H., Kühne, Th.D., Behler, J., Parrinello, M., Nucleation Mechanism for the Direct Graphite-To-Diamond Phase Transition, Nat. Mater., 10, (2011), 693-697, https://doi.org/10.1038/nmat3078
  • Prakash, M.K., Barducci, A., Parrinello, M., Replica Temperatures for Uniform Exchange and Efficient Roundtrip Times in Explicit Solvent Parallel Tempering Simulations, J. Chem. Theory Comput., 7(7), (2011), 2025-2027, https://doi.org/10.1021/ct200208h

2010

  • Khaliullin, R.Z., Eshet, H., Kühne, Th.D., Behler, J., Parrinello, M., Graphite-Diamond Phase Coexistence Study Employing a Neural-Network Mapping of the Ab Initio Potential Energy Surface, Phys. Rev. B, 81, 100103(R), (2010), https://doi.org/10.1103/PhysRevB.81.100103

Theses referencing HPC clusters

Euler

PhD theses

  • Bieri, Philipp, 2017, Unique Architectural and Evolutionary Features of the Mammalian Mitochondrial and the Plant Chloroplast Ribosome Revealed by Cryo-Electron Microscopy, https://doi.org/10.3929/ethz-b-000202600
  • Herrmann, Markus, 2019, Contributions to the Risk Assessment of Natural and Induced Seismicity Producing High-Resolution Catalogs and Improving Risk-Based Decision-Making, https://doi.org/10.3929/ethz-b-000370375
  • Hofer, Gregor, 2019, The two-dimensional polymerization mechanism of an anthracene-based monomer: A single-crystal-to-single-crystal transformation investigated via total X-ray scattering, https://doi.org/10.3929/ethz-b-000371011
  • Zhong, Xin, 2017, Numerical modelling of grainscale pressure variations in metamorphic rocks: interplay between mineral reactions, diffusion and mechanical deformation, https://doi.org/10.3929/ethz-b-000224597

Master theses

  • Haagmans, Vincent, 2021, Modelling the significance of snow-vegetation interactions for active layer dynamics in an Arctic permafrost region subjected to tundra shrubification, https://doi.org/10.3929/ethz-b-000518127

Bachelor theses

Leonhard Med 1.0

Master theses

Bachelor theses

  • Rüegsegger, Nicola Elias, 2021, Weaning of Mechanically Ventilated Patients in the Intensive Care Unit: A Clinician-in-the-Loop Reinforcement Learning Approach, https://doi.org/10.3929/ethz-b-000473932

Leonhard Open

PhD theses

Master theses

Bachelor theses

Brutus

PhD theses

  • Grommek, Andreas, 2012, Polymorphism in the ccβ model amyloid investigated by solid-state NMR and prediction of carbon chemical shifts of proteins by DFT calculations, https://doi.org/10.3929/ethz-a-007558057
  • Kunz, Anna-Pitschna E., 2011, Refinement of Molecular Simulation methodology: Development of Polarisable Solvents and Techniques to Enhance configurational Sampling, https://doi.org/10.3929/ethz-a-6618381
  • Lövenich, Sandra Nicola, 2009, Improvements to the annotation of protein-coding genes in Drosophila melanogaster based on peptide sequences derived from high-throughput tandem mass spectrometry, https://doi.org/10.3929/ethz-a-005905851
  • Semenov, Alexey, 2011, Global 3-D imaging of mantle electrical conductivity based on inversion of observatory Cresponses an approach, data analysis and results, https://doi.org/10.3929/ethz-a-006676164
  • Zhong, Xin, 2017, Numerical modelling of grainscale pressure variations in metamorphic rocks: interplay between mineral reactions, diffusion and mechanical deformation, https://doi.org/10.3929/ethz-b-000224597

Master theses