Jörg Behler

Affiliations: 
Georg-August-Universität Göttingen, Göttingen, Niedersachsen, Germany 
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"Jörg Behler"
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Behler J. (2021) Four Generations of High-Dimensional Neural Network Potentials. Chemical Reviews
Ko TW, Finkler JA, Goedecker S, et al. (2021) General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer. Accounts of Chemical Research
Ko TW, Finkler JA, Goedecker S, et al. (2021) A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer. Nature Communications. 12: 398
Paleico ML, Behler J. (2020) A flexible and adaptive grid algorithm for global optimization utilizing basin hopping Monte Carlo. The Journal of Chemical Physics. 152: 094109
Li J, Song K, Behler J. (2020) Correction: A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry. Physical Chemistry Chemical Physics : Pccp
Eckhoff M, Lausch KN, Blöchl PE, et al. (2020) Predicting oxidation and spin states by high-dimensional neural networks: Applications to lithium manganese oxide spinels. The Journal of Chemical Physics. 153: 164107
Wille S, Jiang H, Bünermann O, et al. (2020) An experimentally validated neural-network potential energy surface for H-atom on free-standing graphene in full dimensionality. Physical Chemistry Chemical Physics : Pccp
Ghorbanfekr H, Behler J, Peeters FM. (2020) Insights into Water Permeation through hBN Nanocapillaries by Ab Initio Machine Learning Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters
Paleico ML, Behler J. (2020) Global optimization of copper clusters at the ZnO(101¯0) surface using a DFT-based neural network potential and genetic algorithms. The Journal of Chemical Physics. 153: 054704
Lu D, Behler J, Li J. (2020) Accurate Global Potential Energy Surfaces for the H + CHOH Reaction by Neural Network Fitting with Permutation Invariance. The Journal of Physical Chemistry. A
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