Jörg Behler

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Citations	15817	12574
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michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
Marco BernasconiUniversity of Milano-BicoccaVerified email at unimib.it
Karsten ReuterDirector at Fritz-Haber-Institut der MPGVerified email at fhi-berlin.mpg.de
Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-Gesellschaft and IRIS-Adlershof of HU BerlinVerified email at fhi-berlin.mpg.de
Gabriele Cesare SossoThe University of Warwick - Associate Professor in Computational Physical ChemistryVerified email at warwick.ac.uk
Tobias MorawietzResearch ScientistVerified email at bayer.com
Nongnuch ArtrithAssistant Professor, Debye Institute for Nanomaterials Science, Utrecht UniversityVerified email at atomistic.net
Michele CeriottiAssociate Professor at EPFL, Institute of MaterialsVerified email at epfl.ch
Thomas D. KühneChair of Theoretical Chemistry and Center for Sustainable Systems Design, University of PaderbornVerified email at cp2k.org
Christoph DellagoProfessor of Computational Physics, University of ViennaVerified email at univie.ac.at
Rustam Z. KhaliullinMcGill UniversityVerified email at khaliullin.com
Davide DonadioUniversity of California DavisVerified email at ucdavis.edu
Gabor CsanyiProfessor of Molecular Modelling, Engineering Laboratory, University of CambridgeVerified email at cam.ac.uk
Stefan GoedeckerUniversity of Basel, SwitzerlandVerified email at unibas.ch
André FielickeFritz-Haber-Institut der Max-Planck-GesellschaftVerified email at fhi-berlin.mpg.de
Giacomo MiceliEcole Polytechnique Fédérale de Lausanne (EPFL)Verified email at epfl.ch
Tsz Wai KoPostdoc, NanoEngineering, University of California, San DiegoVerified email at ucsd.edu
Marco EckhoffETH ZürichVerified email at phys.chem.ethz.ch
Jonas A FinklerUniversity of BaselVerified email at unibas.ch
Axel GrossInstitute of Theoretical Chemistry, Ulm University, and Helmholtz-Institute Ulm- ElectrochemicalVerified email at uni-ulm.de

Jörg Behler

Ruhr-Universität Bochum

Verified email at ruhr-uni-bochum.de - Homepage

neural network potentials materials science


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Generalized neural-network representation of high-dimensional potential-energy surfaces J Behler, M Parrinello Physical review letters 98 (14), 146401, 2007	2857	2007
Atom-centered symmetry functions for constructing high-dimensional neural network potentials J Behler The Journal of chemical physics 134 (7), 074106, 2011	1142	2011
Perspective: Machine learning potentials for atomistic simulations J Behler The Journal of Chemical Physics 145 (17), 170901, 2016	990	2016
Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations J Behler Physical Chemistry Chemical Physics 13 (40), 17930-17955, 2011	647	2011
Constructing high‐dimensional neural network potentials: A tutorial review J Behler International Journal of Quantum Chemistry 115 (16), 1032-1050, 2015	624	2015
First principles neural network potentials for reactive simulations of large molecular and condensed systems J Behler Angewandte Chemie International Edition 56 (42), 12828-12840, 2017	471	2017
Machine learning molecular dynamics for the simulation of infrared spectra M Gastegger, J Behler, P Marquetand Chemical science 8 (10), 6924-6935, 2017	379	2017
Performance and Cost Assessment of Machine Learning Interatomic Potentials Y Zuo, C Chen, X Li, Z Deng, Y Chen, J Behler, G Csányi, AV Shapeev, ... The Journal of Physical Chemistry A 124 (4), 731-745, 2020	372	2020
Representing potential energy surfaces by high-dimensional neural network potentials J Behler Journal of Physics: Condensed Matter 26 (18), 183001, 2014	345	2014
How van der Waals interactions determine the unique properties of water T Morawietz, A Singraber, C Dellago, J Behler Proceedings of the National Academy of Sciences 113 (30), 8368-8373, 2016	335	2016
High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide N Artrith, T Morawietz, J Behler Physical Review B 83 (15), 153101, 2011	331	2011
Nucleation mechanism for the direct graphite-to-diamond phase transition RZ Khaliullin, H Eshet, TD Kühne, J Behler, M Parrinello Nature Materials 10 (9), 693-697, 2011	313	2011
Dissociation of O 2 at Al (111): The role of spin selection rules J Behler, B Delley, S Lorenz, K Reuter, M Scheffler Physical review letters 94 (3), 036104, 2005	311	2005
High-dimensional neural network potentials for metal surfaces: A prototype study for copper N Artrith, J Behler Physical Review B 85 (4), 045439, 2012	261	2012
Metadynamics simulations of the high-pressure phases of silicon employing a high-dimensional neural network potential J Behler, R Martoňák, D Donadio, M Parrinello Physical review letters 100 (18), 185501, 2008	250	2008
Automatic selection of atomic fingerprints and reference configurations for machine-learning potentials G Imbalzano, A Anelli, D Giofré, S Klees, J Behler, M Ceriotti The Journal of Chemical Physics 148 (24), 241730, 2018	239	2018
Neural network interatomic potential for the phase change material GeTe GC Sosso, G Miceli, S Caravati, J Behler, M Bernasconi Physical Review B 85 (17), 174103, 2012	214	2012
Ab initio thermodynamics of liquid and solid water B Cheng, EA Engel, J Behler, C Dellago, M Ceriotti Proceedings of the National Academy of Sciences 116 (4), 1110-1115, 2019	203	2019
Four generations of high-dimensional neural network potentials J Behler Chemical Reviews 121 (16), 10037-10072, 2021	198	2021
Structure determination of isolated metal clusters via far-infrared spectroscopy A Fielicke, A Kirilyuk, C Ratsch, J Behler, M Scheffler, G von Helden, ... Physical review letters 93 (2), 023401, 2004	183	2004

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