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J

Jörg Behler

Ruhr-Universität Bochum

61H-index
204Paper Count
2.2WCitation Count
Published Papers 75
Publication Date
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Molecular Dynamics Simulations of γ-Belite(010)–Water Interfaces With High-Dimensional Neural Network Potentials
errChemistry - A European Journal
IF3.7
err2026-04-09
err0
errOAAI
errBernadeta Prus; Jörg Behler
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A Combined Theoretical and Experimental Study of Oxygen Vacancies in Co3O4 for Liquid-Phase Oxidation Catalysis
errThe Journal of Physical Chemistry C
IF3.2
err2026-02-23
err0
PREAI
errAmir Omranpour; Lea Kämmerer; Catalina Leiva-Leroy; Anna Rabe; Takuma Sato; Soma Salamon; Joachim Landers; Benedikt Eggert; Eugen Weschke; Jean Pascal Fandré; Ashwani Kumar; Harun Tüysüz; Martin Muhler; Heiko Wende; Jörg Behler
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Insights into the Structure and Dynamics of Water at Co3O4${\rm Co}_3{\rm O}_4$(001) Using a High-Dimensional Neural Network Potential
errCHEMCATCHEM
IF3.9
err2025-11-01
err0
errOAAI
errOmranpour, Amir; Behler, Jorg
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Long-Range Interactions in High-Dimensional Neural Network Potentials: A Benchmark Study for Small Organic Molecules
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-11-01
err0
PREAI
errTu, Nguyen Thien Phuc; Knoll, Alexander L. M.; Behler, Jorg; Rowley, Christopher N.
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Free energy profiles for chemical reactions in solution from high-dimensional neural network potentials: The case of the Strecker synthesis
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-05-06
err0
PREAI
errTokita, Alea Miako; Devergne, Timothee; Saitta, A. Marco; Behler, Joerg
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Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-28
err0
errOAAI
errKocer, Emir; Singraber, Andreas; Finkler, Jonas A.; Misof, Philipp; Ko, Tsz Wai; Dellago, Christoph; Behler, Joerg
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Accuracy of charge densities in electronic structure calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-07
err0
errOAAI
errGubler, Moritz; Schaefer, Moritz R.; Behler, Joerg; Goedecker, Stefan
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Machine Learning Potentials for Heterogeneous Catalysis
errACS CATALYSIS
IF0
err2025-01-15
err2
errOAAI
errOmranpour, A; Elsner, J; Lausch, KN; Behler, J
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Random Sampling Versus Active Learning Algorithms for Machine Learning Potentials of Quantum Liquid Water
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-14
err0
errOAAI
errStolte, Nore; Daru, Janos; Forbert, Harald; Marx, Dominik; Behler, Jorg
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From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-11-17
err1
errOAAI
errMenon, Sarath; Lysogorskiy, Yury; Knoll, Alexander L. M.; Leimeroth, Niklas; Poul, Marvin; Qamar, Minaam; Janssen, Jan; Mrovec, Matous; Rohrer, Jochen; Albe, Karsten; Behler, Joerg; Drautz, Ralf; Neugebauer, Joerg
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Hybrid Quantum Mechanical, Molecular Mechanical, and Machine Learning Potential for Computing Aqueous-Phase Adsorption Free Energies on Metal Surfaces
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-09-10
err2
PREAI
errZare, Mehdi; Sahsah, Dia; Saleheen, Mohammad; Behler, Jorg; Heyden, Andreas
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Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge Equilibration
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-08-16
err4
errOAAI
errGubler, Moritz; Finkler, Jonas A.; Schaefer, Moritz R.; Behler, Joerg; Goedecker, Stefan
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Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-01
err15
errOAAI
errOmranpour, Amir; Montero De Hijes, Pablo; Behler, Joerg; Dellago, Christoph
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errSave
High-Dimensional Neural Network Potentials for Accurate Prediction of Equation of State: A Case Study of Methane
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-30
err2
PREAI
errAbedi, Mostafa; Behler, Joerg; Goldsmith, C. Franklin
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How to train a neural network potential
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-09-27
err39
errOAAI
errTokita, Alea Miako; Behler, Joerg
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errSave
Accelerating Non-Empirical Structure Determination of Ziegler-Natta Catalysts with a High-Dimensional Neural Network Potential
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-06-09
err2
PREAI
errChikuma, Hiroki; Takasao, Gentoku; Wada, Toru; Chammingkwan, Patchanee; Behler, Joerg; Taniike, Toshiaki
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Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-08
err25
errOAAI
errKo, Tsz Wai; Finkler, Jonas A.; Goedecker, Stefan; Behler, Joerg
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Neural Network Potentials: A Concise Overview of Methods
errANNUAL REVIEW OF PHYSICAL CHEMISTRY
IF11.7
err2022-04-20
err135
errOAAI
errKocer, Emir; Ko, Tsz Wai; Behler, Joerg
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A Hessian-based assessment of atomic forces for training machine learning interatomic potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-03-15
err7
errOAAI
errHerbold, Marius; Behler, Joerg
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Insights into lithium manganese oxide-water interfaces using machine learning potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-12-22
err21
errOAAI
errEckhoff, Marco; Behler, Joerg
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Research Directions

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Co-authors
Cooperation Journals
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H-index: 99 · Papers: 1.3K
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Martin Muhler
H-index: 92 · Papers: 784
G
Gerard Meijer
H-index: 91 · Papers: 831
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