Hall of fame

From ScientificComputing
Revision as of 08:01, 21 April 2022 by Sfux (talk | contribs) (2021)

Jump to: navigation, search

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) since 2008. Publications that are referencing more than one cluster are only counted once.

Articles in scientific journals Theses Total
545 227 767


Publications that reference more than one cluster were only counted once in the summary.

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

2022

  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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)
  • 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
  • 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
  • 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

2021

  • 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.13863.1
  • 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
  • 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
  • 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)
  • 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
  • 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
  • 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
  • Karagodin-Doyennnel, 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
  • Lin, R., Georges, Ch., Klinder, J., Molignini, P., Büttner, M., Lode, A.U.J., Chitra, R., Hemmerich, A., Kessler, H., Mott Transition in a Cavity-Boson System: A Quantitative Comparison Between Theory and Experiment, SciPost Phys., 11, 030, (2021), https://doi.org/10.21468/SciPostPhys.11.2.030
  • Maeder, M., Weiss, O., Boulouchos, K., Assessing the Need for Flexibility Technologies in Decarbonized Power Systems: A New Model Applied to Central Europe, Appl. Energ., 282, 116050, (2021), https://doi.org/10.1016/j.apenergy.2020.116050
  • Markmann, S., Franckié, M., Pal, Sh., Stark, D., Beck, M., Fiebig, M., Scalari, G., Faist, J., Two-Dimensional Spectroscopy on a THz Quantum Cascade Structure, Nanophotonics, 10(1), (2021), 171-180, https://doi.org/10.1515/nanoph-2020-0369
  • Michel, V.F., Esswein, T., Spaldin, N.A., Interplay Between Ferroelectricity and Metallicity in BaTiO3, J. Mater. Chem. C, 9(27), (2021), 8640-8649, https://doi.org/10.1039/D1TC01868J
  • Mittelviefhaus, M., Pareschi, G., Allan, J., Georges, G., Boulouchos, K., Optimal Investment and Scheduling of Residential Multi-Energy Systems Including Electric Mobility: A Cost-Effective Approach to Climate Change Mitigation, Appl. Energ., 301, 117445, (2021), https://doi.org/10.1016/j.apenergy.2021.117445
  • Moglinini, P., Celades, A.G., Chitra, R., Chen, W., Crossdimensional Universality Classes in Static and Periodically Driven Kitaev Models, Phys. Rev. B, 103, 184507, (2021), https://doi.org/10.1103/PhysRevB.103.184507
  • Morad, V., Yakunin, S., Benin, B.M., Shynkarenko, Y., Grotevent, M.J., Shorubalko, I., Boehme, S.C., Maksym V. Kovalenko, M.V., Hybrid 0D Antimony Halides as Air‐Stable Luminophores for High‐Spatial‐Resolution Remote Thermography, Adv. Mater., 33, 2007355, (2021), https://doi.org/10.1002/adma.202007355
  • Müller, A., Comas-Vives, A., Copéret, C., Shape and Surface Morphology of Copper Nanoparticles under CO2 Hydrogenation Conditions from First Principles, J. Phys. Chem. C, 125, (2021), 396-409, https://doi.org/10.1021/acs.jpcc.0c08261
  • Mylonas, Ch., Abdallah, I., Chatzi, E., Conditional Variational Autoencoders for Probabilistic Wind Turbine Blade Fatigue Estimation Using Supervisory, Control, and Data Acquisition Data, Wind Energy, 24(10), (2021), 1122-1139, https://doi.org/10.1002/we.2621
  • 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
  • Niederdorfer, R., Hausherr, D., Palomo, A., Wei, J., Magyar, P., Smets, B.F., Joss, A., Bürgmann, H., Temperature Modulates Stress Response in Mainstream Anammox Reactors, Commun. Biol., 4, 23, (2021), https://doi.org/10.1038/s42003-020-01534-8
  • Payard, P.-A., Rochlitz, L., Searles, K., Foppa, L., Leuthold, B., Safonova, O.V., Comas-Vives, A., Copéret, C., Dynamics and Site Isolation: Keys to High Propane Dehydrogenation Performance of Silica-Supported PtGa Nanoparticles, JACS Au, 1(9), (2012), 1445-1458, https://doi.org/10.1021/jacsau.1c00212
  • Pulido, H., Stanczyk, N.M., De Moraes, C.M., Mescher, M.C., A Unique Volatile Signature Distinguishes Malaria Infection from Other Conditions That Cause Similar Symptoms, Sci. Rep., 11, 13928, (2021), https://doi.org/10.1038/s41598-021-92962-x
  • Rombach, D., Birenheide, B., Wagenknecht, H.-A., Photoredox Catalytic Pentafluorosulfanylative Domino Cyclization of α-Substituted Alkenes to Oxaheterocycles by Using SF6, Chem. Eur. J., 27, (2021), 8088-8093, https://doi.org/10.1002/chem.202100767
  • Rozanov, E., Egorova, T., Egli, L., Karagodin-Doyennel, A., Sukhodolov, T., Schill, H., Stübi, R., Gröbner, J., Representativeness of the Arosa/Davos Measurements for the Analysis of the Global Total Column Ozone Behavior, Front. Earth Sci., 9, 675084, (2021), https://doi.org/10.3389/feart.2021.675084
  • Sakellarakis, V.D., Wright Y.M., Vera-Tudela, W., Boulouchos, K., Numerical Investigation of the Autoignition of Underexpanded Methane Jets, Fuel, 291, 120169, (2021), https://doi.org/10.1016/j.fuel.2021.120169
  • Smit, Th., Aage, N., Ferguson, S.J., Helgasson, B., Topology Optimization Using PETSc: A Python Wrapper and Extended Functionality, Struct. Multidiscip. O., 64, (2021), 4343-4353, https://doi.org/10.1007/s00158-021-03018-7
  • Spaldin, N.A., Efe, I., Rossell, M., Gattinino, C., Layer and Spontaneous Polarizations in Perovskite Oxides and Their Interplay in Multiferroic Bismuth Ferrite, J. Chem. Phys., 154, 154702, (2021), https://doi.org/10.1063/5.0046061
  • Stelmakh, A., Aebli, M., Baumketner, A., Kovalenko, M.V., On the Mechanism of Alkylammonium Ligands Binding to the Surface of CsPbBr3 Nanocrystals, Chem. Mater., 33, (2021), 5962-5973, https://doi.org/10.1021/acs.chemmater.1c01081
  • Tabibi, S., Boulet, J., Dillier, N., Bruce, I.C., Phenomenological Model of Auditory Nerve Population Responses to Cochlear Implant Stimulation, J. Neurosci. Meth., 358, 109212, (2021), https://doi.org/10.1016/j.jneumeth.2021.109212
  • Tagliavini, G., McCorquodale, M., Westbrook, C., Holzner, M., Numerical Analysis of the Wake of Complex-Shaped Snow Particles at Moderate Reynolds Number, Phys. Fluids, 33, 105103, (2021), https://doi.org/10.1063/5.0064902
  • Tan, E. Y.-Z., Schwonnek, R., Goh, K.T., Primaatmaja, I.W., Lim, C. C.-W., Computing Secure Key Rates for Quantum Cryptography with Untrusted Devices, Quantum Inf., 7, 158, (2021), https://doi.org/10.1038/s41534-021-00494-z
  • Turano, M., Walker, M., Grillo, F., Gattinoni, Edmondson, J., Adesida, O., Hunt, G., Kirkman, P.M., Richardson, N.V., Baddeley, C.J., Michaelides, A., Costantini, G., Understanding the Interaction of Organic Corrosion Inhibitors with Copper at the Molecular Scale: Benzotriazole on Cu(110), Appl. Surf. Sci., 570, 151206, (2021), https://doi.org/10.1016/j.apsusc.2021.151206
  • Ulrich, G.F., Zemp, N., Vorburger, C., Boulain, H., Quantitative Trait Locus Analysis of Parasitoid Counteradaptation to Symbiont-Conferred Resistance, Heredity, 127, (2021), 219-232, https://doi.org/10.1038/s41437-021-00444-7
  • Wang, X., Conformational Fluctuations in GTP-Bound K-Ras: A Metadynamics Perspective with Harmonic Linear Discriminant Analysis, J. Chem. Inf. Model., 61(10), (2021), 5212-5222, https://doi.org/10.1021/acs.jcim.1c00844
  • Wohland, J., Brayshaw, D., Pfenniger, S., Mitigating a Century of European Renewable Variability with Transmission and Informed Siting, Environ. Res. Lett., 16, 064026, (2021), https://doi.org/10.1088/1748-9326/abff89
  • Wu, R., Sansavini, G., Energy Trilemma in Active Distribution Network Design: Balancing Affordability, Sustainability and Security in Optimization-Based Decision-Making, Appl. Energ., 304, 117891, (2021), https://doi.org/10.1016/j.apenergy.2021.117891

2020

  • Antognini, A., Ayres, N.J., Belosevic, I., Bondar, V., Eggenberger, A., Hildebrandt, M., Iwai, R., Kaplan, D.M., Khaw, K.S., Kirch, K., Knecht, A., Papa, A., Petitjean, C., Phillips, T.J., Pigesa, F.M., Ritjoho, N., Stoykov, A., Taqqu, D., Wichmann, G., Demonstration of Muon-Beam Transverse Phase-Space Compression, Phys. Rev. Lett., 125, 164802, (2020), https://doi.org/10.1103/PhysRevLett.125.164802
  • Athanasopoulos, N., Manukyan, E., Bohlen, T., Maurer, H., Time–frequency Windowing in Multiparameter Elastic FWI of Shallow Seismic Wavefield, Geophys. J. Int., 222(2), (2020), 1164-1177, https://doi.org/10.1093/gji/ggaa242
  • 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
  • Bodénan, J.-D., Surville, C., Szulágyi, J., Mayer, L., Schönbächler, M., Can Chondrules Be Produced by the Interaction of Jupiter with the Protosolar Disk?, ApJ, 901(1), 60(13pp), (2020), https://doi.org/10.3847/1538-4357/abaef2
  • D'Acquisto, M., Dal Zilio, L., Molinari, I., Kissling, E., Gerya, T., van Dinther, Y., Tectonics and Seismicity in the Northern Apennines Driven by Slab Retreat and Lithospheric Delamination, Tectonophysics, 789, 228481, (2020), https://doi.org/10.1016/j.tecto.2020.228481
  • Dal Zilio, L., Kissling, E., Gerya, T., van Dinther, Y., Slab Rollback Orogeny Model: A Test of Concept, Geophys. Res. Lett., 47, e2020GL089917, (2020), https://doi.org/10.1029/2020GL089917
  • Dal Zilio, L., Ruh, J., Avouac, J.P., Structural Evolution of Orogenic Wedges: Interplay Between Erosion and Weak Décollements, Tectonics, 39, e2020TC006210, (2020), https://doi.org/10.1029/2020TC006210
  • Gasparini, B., McGraw, Z., Storelvmo, T., Lohmann, U., To What Extent Can Cirrus Cloud Seeding Counteract Global Warming?, Environ. Res. Lett., 15, 054002, (2020), https://doi.org/10.1088/1748-9326/ab71a3
  • Gülcher, A.J.P., Gebhardt, D.J., Ballmer, M.D., Tackley, P.J., Variable Dynamic Styles of Primordial Heterogeneity Preservation in the Earth’s Lower Mantle, Earth Planet. Sci. Lett., 536, 116160, (2020), https://doi.org/10.1016/j.epsl.2020.116160
  • Gülcher, A.J.P., Gerya, T., Montési, L.G.J., Corona Structures Driven by Plume–lithosphere Interactions and Evidence for Ongoing Plume Activity on Venus, Munch, J., Nat. Geosci., 13 (2020), 547-554, https://doi.org/10.1038/s41561-020-0606-1
  • Hahn, K.R., Baiker, A., Comparative Density Functional Theory Study of Cinchonidine and Hydrogen Coadsorption on Platinum Group Metals (Rh, Ir, Pd, and Pt) and Its Implications on Surface Chiral Site Formation, J. Phys. Chem. C, 124, 33, (2020), 18020-18030, https://doi.org/10.1021/acs.jpcc.0c03255
  • Hell, M.C., Schneider, T., Li, C., Atmospheric Circulation Response to Short-Term Arctic Warming in an Idealized Model, J. Atmos. Sci., 77(2), (2020), 531-549, https://doi.org/10.1175/JAS-D-19-0133.1
  • Hirshberg, B., Invernizzi, M., Parrinello, M., Path Integral Molecular Dynamics for Fermions: Alleviating the Sign Problem with the Bogoliubov Inequality, J. Chem. Phys., 152, 171102, (2020), https://doi.org/10.1063/5.0008720
  • Hou, I.C.-Y., Sun, Q., Eimre, K., Di Giovannantonio, M., Urgel, J.I., Ruffieux, P., Narita, A., Fasel, R., Müllen, K., On-Surface Synthesis of Unsaturated Carbon Nanostructures with Regularly Fused Pentagon−Heptagon Pairs, J. Am. Chem. Soc., 142, (2020), 10291-10296, https://dx.doi.org/10.1021/jacs.0c03635
  • Kacprzak, T., Herbel, J., Nicola, A., Sgier, R., Tarsitano, F., Bruderer, C., Amara, A., Refregier, A., Bridle, S.L., Drlica-Wagner, A., Grün, D., Hartley, W.G., Hoyle. B, Secco, L.F., Zuntz, J., Annis, J., Avila, S., Bertin, E., Brooks, D., Buckley-Geer, E., Carnero Rosell, A., Carrasco Kind, M., Carretero, J., da Costa, L.N., De Vicente, J., Desai, S., Diehl, H.T., Doel, P., García-Bellido, J., Gaztanaga, E., Gründl, R.A., Gschwend, J., Gutierrez, G., Hollowood, D.J., Honscheid, K., James, D.J., Jarvis, M., Lima, M., Maia, M.A.G., Marshall, J.L., Melchior, P., Menanteau, F., Miquel, R., Paz-Chinchón, F., Plazas, A.A., Sanchez, E., Scarpine, V., Serrano, S., Sevilla-noarbe, I., Smith, M., Suchyta, E., Swanson, M.E.C., Tarle, G., Vikram, V., Weller, J., Monte Carlo Control Loops for Cosmic Shear Cosmology with DES Year 1 Data, Phys. Rev. D, 101, 082003, (2020), https://doi.org/10.1103/PhysRevD.101.082003
  • Käppeli, R., Balsara, D.S., Chandrashekar, P., Hazra, A., Optimal, Globally Constraint-Preserving, DG(TD)2 Schemes for Computational Electrodynamics Based on Two-Derivative Runge-Kutta Timestepping and Multidimensional Generalized Riemann Problem Solvers – A von Neumann Stability Analysis, J. Comput. Phys., 408, 109238, (2020), https://doi.org/10.1016/j.jcp.2020.109238
  • Knezevic, M., Heilmann, M., Piccini, G.M., Tiefenbacher, K., Overriding Intrinsic Reactivity in Aliphatic C−H Oxidation: Preferential C3/C4 Oxidation of Aliphatic Ammonium Substrates, Angew. Chem. Int. Ed., 59, (2020), 12387-12391, https://doi.org/10.1002/anie.202004242
  • Liang, S., Hemberger, P., Steglich, M., Simonetti, P., Levalois-Grützmacher, J., Grützmacher, Gaan, S., The Underlying Chemistry to the Formation of PO2 Radicals from Organophosphorus Compounds: A Missing Puzzle Piece in Flame Chemistry, Chem. Eur. J., 26, (2020), 10795-10800, https://doi.org/10.1002/chem.202001388
  • Lin, R., Molignini, P., Lode, A.U.J., Chitra, R., Pathway to Chaos through Hierarchical Superfluidity in Blue-Detuned Cavity-BEC Systems, Phys. Rev. A, 101, 061602(R), (2020), https://doi.org/10.1103/PhysRevA.101.061602
  • Mascello, N., Spaldin, N.A., Narayan, A., Meier, Q.N., Theoretical Investigation of Twin Boundaries in WO3: Structure, Properties, and Implications for Superconductivity, Phys. Rev. Research, 2, 033460, (2020), https://doi.org/10.1103/PhysRevResearch.2.033460
  • Mastrotheodoros, T., Pappas, C., Molnar, P., Burlando, P., Manoli, G., Parajka, J., Rigon, R., Szeles, B., Bottazzi, M., Hadjidoukas, P., Fatichi, S., More Green and Less Blue Water in the Alps During Warmer Summers, Nat. Cli. Chang., 10 (2020), 155-161, https://doi.org/10.1038/s41558-019-0676-5
  • Meier, Q.N., Stucky, A., Teyssier, J., Griffin, S.M., van der Marel, D., Spaldin, N.A., Manifestation of Structural Higgs and Goldstone Modes in the Hexagonal Manganites, Phys. Rev. B, 102, 014102, (2020), https://doi.org/10.1103/PhysRevB.102.014102
  • Menant, A., Angiboust, S., Gerya, T., Lacassin, R., Simoes, M., Grandin, R., Transient Stripping of Subducting Slabs Controls Periodic Forearc Uplift, Nat. Commun., 11, 1823, (2020), https://doi.org/10.1038/s41467-020-15580-7
  • Merget, S., Catti, L., Piccini, G.M., Tiefenbacher, K., Requirements for Terpene Cyclizations inside the Supramolecular Resorcinarene Capsule: Bound Water and Its Protonation Determine the Catalytic Activity, J. Am. Chem. Soc., 142, (2020), 4400-4410, https://doi.org/10.1021/jacs.9b13239
  • Munch, F.D., Khan, A., Tauzin, B., van Driel, M., Giardini, D., Seismological Evidence for Thermo-Chemical Heterogeneity in Earth’s Continental Mantle, Earth Planet. Sci. Lett., 539, 116240, (2020), https://doi.org/10.1016/j.epsl.2020.116240
  • Münch, S., Lohmann, U., Developing a Cloud Scheme With Prognostic Cloud Fraction and Two Moment Microphysics for ECHAM‐HAM, J. Adv. Model. Earth. Sy., 12, e2019MS001824, (2020), https://doi.org/10.1029/2019MS001824
  • 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, Sc. Rep., 10, 15862, (2020), https://doi.org/10.1038/s41598-020-72215-z
  • 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
  • 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)
  • 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

  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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., 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
  • 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
  • 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
  • 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

2018

  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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

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

2020

  • 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
  • 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

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
  • 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, Sc. Rep., 10, 15862, (2020), https://doi.org/10.1038/s41598-020-72215-z

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
  • 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

  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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, Sc. Rep., 7, 8003, (2017), https://doi.org/10.1038/s41598-017-07286-6
  • Verona, M.D., Verdolino, V., Palazzesi, F.., Corradini, R., Focus on PNA Flexibility and RNA Binding Using Molecular Dynamics and Metadynamics, Sc. 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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., 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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 NHCCatalyzed Annulation Reactions of α,β-Unsaturated Acyl Azoliums, Chem. Sci., 3(3), (2012), 2346-2350, https://doi.org/10.1039/C2SC20331F
  • 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
  • Peleg, O., Saavin, 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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., 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., 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
  • 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
  • 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
  • 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

  • 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

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
  • 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

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