Jörg Behler

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 38

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

The Journal of chemical physics

Georg-August-Universität Göttingen

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Georg-August-Universität Göttingen Feb 01 2017

Germany

Prof. Dr. :: Theoretical Chemistry

Ruhr-Universität Bochum Jul 01 2007 - Jan 31 2017

Germany

PD Dr. :: Theoretical Chemistry

Publications

Moritz Gubler, Jonas A Finkler, Moritz R Schäfer, Jörg Behler, Stefan Goedecker
Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge Equilibration. Journal of chemical theory and computation (2024)
Martin Liebetrau, Yvonne Dorenkamp, Oliver Bünermann, Jörg Behler
Hydrogen atom scattering at the Al 2 O 3 (0001) surface: a combined experimental and theoretical study. Physical chemistry chemical physics : PCCP 26 (3) (2024)
Moritz Gubler, Jonas A Finkler, Moritz R Schäfer, Jörg Behler, Stefan Goedecker
Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge Equilibration. Journal of chemical theory and computation (2024)
Moritz Gubler, Jonas A Finkler, Moritz R Schäfer, Jörg Behler, Stefan Goedecker
Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge Equilibration. Journal of chemical theory and computation (2024)
Martin Liebetrau, Yvonne Dorenkamp, Oliver Bünermann, Jörg Behler
Hydrogen atom scattering at the Al 2 O 3 (0001) surface: a combined experimental and theoretical study. Physical chemistry chemical physics : PCCP 26 (3) (2024)
Martin Liebetrau, Yvonne Dorenkamp, Oliver Bünermann, Jörg Behler
Hydrogen atom scattering at the Al 2 O 3 (0001) surface: a combined experimental and theoretical study. Physical chemistry chemical physics : PCCP 26 (3) (2024)
Mehdi Zare, Dia Sahsah, Mohammad Saleheen, Jörg Behler, Andreas Heyden
Hybrid Quantum Mechanical, Molecular Mechanical, and Machine Learning Potential for Computing Aqueous-Phase Adsorption Free Energies on Metal Surfaces. Journal of chemical theory and computation (2024)
Mostafa Abedi, Jörg Behler, C Franklin Goldsmith
High-Dimensional Neural Network Potentials for Accurate Prediction of Equation of State: A Case Study of Methane. Journal of chemical theory and computation (2023)
Marius Herbold, Jörg Behler
Machine learning transferable atomic forces for large systems from underconverged molecular fragments. Physical chemistry chemical physics : PCCP 25 (18) (2023)
Martin Liebetrau, Yvonne Dorenkamp, Oliver Bünermann, Jörg Behler
Hydrogen atom scattering at the Al 2 O 3 (0001) surface: a combined experimental and theoretical study. Physical chemistry chemical physics : PCCP (2023)
Tsz Wai Ko, Jonas A Finkler, Stefan Goedecker, Jörg Behler
Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding. Journal of chemical theory and computation (2023)
Regine Herbst-Irmer, Xiaobai Wang, Laura Haberstock, Ingo Koehne, Rainer Oswald, Jörg Behler, Dietmar Stalke
A new polymorph of white phosphorus at ambient conditions. IUCrJ 10 (Pt 6) (2023)
Dilshana Shanavas Rasheeda, Alberto Martín Santa Daría, Benjamin Schröder, Edit Mátyus, Jörg Behler
High-dimensional neural network potentials for accurate vibrational frequencies: the formic acid dimer benchmark. Physical chemistry chemical physics : PCCP (2022)
Tsz Wai Ko, Jonas A Finkler, Stefan Goedecker, Jörg Behler
General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer. Accounts of chemical research 54 (4) (2021)
Daniele Dragoni, Jörg Behler, Marco Bernasconi
Mechanism of amorphous phase stabilization in ultrathin films of monoatomic phase change material. Nanoscale 13 (38) (2021)
Jörg Behler
Four Generations of High-Dimensional Neural Network Potentials. Chemical reviews 121 (16) (2021)
Tsz Wai Ko, Jonas A Finkler, Stefan Goedecker, Jörg Behler
A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer. Nature communications 12 (1) (2021)
Yunxing Zuo, Chi Chen, Xiangguo Li, Zhi Deng, Yiming Chen, Jörg Behler, Gábor Csányi, Alexander V Shapeev, Aidan P Thompson, Mitchell A Wood, Shyue Ping Ong
Performance and Cost Assessment of Machine Learning Interatomic Potentials. The journal of physical chemistry. A 124 (4) (2020)
Dandan Lu, Jörg Behler, Jun Li
Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance. The journal of physical chemistry. A 124 (28) (2020)
Hossein Ghorbanfekr, Jörg Behler, François M Peeters
Insights into Water Permeation through hBN Nanocapillaries by Ab Initio Machine Learning Molecular Dynamics Simulations. The journal of physical chemistry letters 11 (17) (2020)
Andreas Singraber, Tobias Morawietz, Jörg Behler, Christoph Dellago
Parallel Multistream Training of High-Dimensional Neural Network Potentials. Journal of chemical theory and computation 15 (5) (2019)
Helena Keil, Matti Hellström, Claudia Stückl, Regine Herbst-Irmer, Jörg Behler, Dietmar Stalke
New Insights into the Catalytic Activity of Cobalt Orthophosphate Co3 (PO4 )2 from Charge Density Analysis. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (69) (2019)
Bingqing Cheng, Edgar A Engel, Jörg Behler, Christoph Dellago, Michele Ceriotti
Ab initio thermodynamics of liquid and solid water. Proceedings of the National Academy of Sciences of the United States of America 116 (4) (2019)
Nick Gerrits, Khosrow Shakouri, Jörg Behler, Geert-Jan Kroes
Accurate Probabilities for Highly Activated Reaction of Polyatomic Molecules on Surfaces Using a High-Dimensional Neural Network Potential: CHD3 + Cu(111). The journal of physical chemistry letters 10 (8) (2019)
Marco Eckhoff, Jörg Behler
From Molecular Fragments to the Bulk: Development of a Neural Network Potential for MOF-5. Journal of chemical theory and computation 15 (6) (2019)
Paul Spiering, Khosrow Shakouri, Jörg Behler, Geert-Jan Kroes, Jörg Meyer
Orbital-Dependent Electronic Friction Significantly Affects the Description of Reactive Scattering of N2 from Ru(0001). The journal of physical chemistry letters 10 (11) (2019)
Andreas Singraber, Jörg Behler, Christoph Dellago
Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials. Journal of chemical theory and computation 15 (3) (2019)
Christoph Schran, Jörg Behler, Dominik Marx
Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground. Journal of chemical theory and computation 16 (1) (2019)
Thuong T Nguyen, Eszter Székely, Giulio Imbalzano, Jörg Behler, Gábor Csányi, Michele Ceriotti, Andreas W Götz, Francesco Paesani
Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions. The Journal of chemical physics 148 (24) (2018)
Matti Hellström, Michele Ceriotti, Jörg Behler
Nuclear Quantum Effects in Sodium Hydroxide Solutions from Neural Network Molecular Dynamics Simulations. The journal of physical chemistry. B 122 (44) (2018)
Vanessa Quaranta, Matti Hellström, Jörg Behler, Jolla Kullgren, Pavlin D Mitev, Kersti Hermansson
Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(101¯0) interface from a high-dimensional neural network potential. The Journal of chemical physics 148 (24) (2018)
Giulio Imbalzano, Andrea Anelli, Daniele Giofré, Sinja Klees, Jörg Behler, Michele Ceriotti
Automatic selection of atomic fingerprints and reference configurations for machine-learning potentials. The Journal of chemical physics 148 (24) (2018)
Matti Hellström, Vanessa Quaranta, Jörg Behler
One-dimensional vs. two-dimensional proton transport processes at solid-liquid zinc-oxide-water interfaces. Chemical science 10 (4) (2018)
Khosrow Shakouri, Jörg Behler, Jörg Meyer, Geert-Jan Kroes
Accurate Neural Network Description of Surface Phonons in Reactive Gas-Surface Dynamics: N2 + Ru(0001). The journal of physical chemistry letters 8 (10) (2017)
Vanessa Quaranta, Matti Hellström, Jörg Behler
Proton-Transfer Mechanisms at the Water-ZnO Interface: The Role of Presolvation. The journal of physical chemistry letters 8 (7) (2017)
Jörg Behler
First Principles Neural Network Potentials for Reactive Simulations of Large Molecular and Condensed Systems. Angewandte Chemie (International ed. in English) 56 (42) (2017)
Michael Gastegger, Jörg Behler, Philipp Marquetand
Machine learning molecular dynamics for the simulation of infrared spectra. Chemical science 8 (10) (2017)
Matti Hellström, Jörg Behler
Proton-Transfer-Driven Water Exchange Mechanism in the Na+ Solvation Shell. The journal of physical chemistry. B 121 (16) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Jörg Behler