Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials
Singraber, Andreas, Behler, Jörg, Dellago, Christoph
Published in Journal of chemical theory and computation (12.03.2019)
Published in Journal of chemical theory and computation (12.03.2019)
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Journal Article
A Density-Functional Theory-Based Neural Network Potential for Water Clusters Including van der Waals Corrections
Morawietz, Tobias, Behler, Jörg
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.08.2013)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.08.2013)
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Journal Article
Parallel Multistream Training of High-Dimensional Neural Network Potentials
Singraber, Andreas, Morawietz, Tobias, Behler, Jörg, Dellago, Christoph
Published in Journal of chemical theory and computation (14.05.2019)
Published in Journal of chemical theory and computation (14.05.2019)
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Journal Article
Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance
Lu, Dandan, Behler, Jörg, Li, Jun
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.07.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.07.2020)
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Journal Article
General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer
Ko, Tsz Wai, Finkler, Jonas A, Goedecker, Stefan, Behler, Jörg
Published in Accounts of chemical research (16.02.2021)
Published in Accounts of chemical research (16.02.2021)
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Journal Article
Machine learning potentials for extended systems: a perspective
Behler, Jörg, Csányi, Gábor
Published in The European physical journal. B, Condensed matter physics (01.07.2021)
Published in The European physical journal. B, Condensed matter physics (01.07.2021)
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Journal Article
Performance and Cost Assessment of Machine Learning Interatomic Potentials
Zuo, Yunxing, Chen, Chi, Li, Xiangguo, Deng, Zhi, Chen, Yiming, Behler, Jörg, Csányi, Gábor, Shapeev, Alexander V, Thompson, Aidan P, Wood, Mitchell A, Ong, Shyue Ping
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.01.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.01.2020)
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Journal Article
Proton-Transfer Mechanisms at the Water–ZnO Interface: The Role of Presolvation
Quaranta, Vanessa, Hellström, Matti, Behler, Jörg
Published in The journal of physical chemistry letters (06.04.2017)
Published in The journal of physical chemistry letters (06.04.2017)
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Journal Article
Ab initio thermodynamics of liquid and solid water
Cheng, Bingqing, Engel, Edgar A., Behler, Jörg, Dellago, Christoph, Ceriotti, Michele
Published in Proceedings of the National Academy of Sciences - PNAS (22.01.2019)
Published in Proceedings of the National Academy of Sciences - PNAS (22.01.2019)
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Journal Article