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J

Jörg Behler

Ruhr-Universität Bochum

61H指数
204论文数
2.2W被引数
收录论文 75
发表时间
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Molecular Dynamics Simulations of γ-Belite(010)–Water Interfaces With High-Dimensional Neural Network Potentials高维神经网络势的γ-硅钙石(010)–水界面分子动力学模拟
errChemistry - A European Journal
IF3.7
err2026-04-09
err0
errOAAI
errBernadeta Prus; Jörg Behler
err分享
err收藏
A Combined Theoretical and Experimental Study of Oxygen Vacancies in Co3O4 for Liquid-Phase Oxidation CatalysisCo3O4中氧空位的理论与实验结合研究用于液相氧化催化
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
err分享
err收藏
Insights into the Structure and Dynamics of Water at Co3O4${\rm Co}_3{\rm O}_4$(001) Using a High-Dimensional Neural Network Potential使用高维神经网络势研究Co3O4${\rm Co}_3{\rm O}_4$(001)上水的结构与动力学
errCHEMCATCHEM
IF3.9
err2025-11-01
err0
errOAAI
errOmranpour, Amir; Behler, Jorg
err分享
err收藏
Long-Range Interactions in High-Dimensional Neural Network Potentials: A Benchmark Study for Small Organic Molecules高维神经网络势能中的长程相互作用：小有机分子的基准研究
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.
err分享
err收藏
Free energy profiles for chemical reactions in solution from high-dimensional neural network potentials: The case of the Strecker synthesis溶液中化学反应的自由能轮廓：高维神经网络势的应用——以Strecker合成为例
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-05-06
err0
PREAI
errTokita, Alea Miako; Devergne, Timothee; Saitta, A. Marco; Behler, Joerg
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
Machine Learning Potentials for Heterogeneous Catalysis非均相催化的机器学习潜力
errACS CATALYSIS
IF0
err2025-01-15
err2
errOAAI
errOmranpour, A; Elsner, J; Lausch, KN; Behler, J
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials透视: 具有机器学习潜力的水和水系统的原子模拟
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-01
err15
errOAAI
errOmranpour, Amir; Montero De Hijes, Pablo; Behler, Joerg; Dellago, Christoph
err分享
err收藏
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
err分享
err收藏
How to train a neural network potential
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-09-27
err39
errOAAI
errTokita, Alea Miako; Behler, Joerg
err分享
err收藏
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
err分享
err收藏
Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding通过静电嵌入实现精确的第四代机器学习潜力
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-08
err25
errOAAI
errKo, Tsz Wai; Finkler, Jonas A.; Goedecker, Stefan; Behler, Joerg
err分享
err收藏
Neural Network Potentials: A Concise Overview of Methods神经网络潜力: 方法的简要概述
errANNUAL REVIEW OF PHYSICAL CHEMISTRY
IF11.7
err2022-04-20
err135
errOAAI
errKocer, Emir; Ko, Tsz Wai; Behler, Joerg
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏

研究方向

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