Jörg Behler
2005–2025 年に発表
- 43
- 論文数
- 18,820
- 被引用数
- 36
- h 指数
- 39
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Materials Science71.3%
- Computer Science10.4%
- Physics and Astronomy5%
- Biochemistry, Genetics and Molecular Biology4.6%
- Engineering3.5%
- Chemistry1.7%
- その他3.5%
トピック
- Machine Learning in Materials Science27%
- Computational Drug Discovery Methods17%
- Protein Structure and Dynamics9.3%
- X-ray Diffraction in Crystallography3.4%
- Advanced Chemical Physics Studies2.8%
- Spectroscopy and Quantum Chemical Studies2%
- その他38.5%
共著者
- Christoph Dellago7
- Jonas A. Finkler5
- Stefan Goedecker5
- Tsz Wai Ko5
- Andreas Singraber4
- Michele Parrinello4
- Tobias Morawietz4
- Emir Kocer3
- Aidan P. Thompson2
- Alexander V. Shapeev2
- Davide Donadio2
- Dominik Marx2
- Gábor Cśanyi2
- Michael Gastegger2
- Michele Ceriotti2
- Nongnuch Artrith2
- Philipp Marquetand2
- Roman Martoňák2
- Shyue Ping Ong2
- Alberto Martín Santa Daría1
- Amir Omranpour1
- Anders S. Christensen1
- Andrea Anelli1
- Andreas Heyden1
全論文
- Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces
著者: Jörg Behler, Michele Parrinello - Physical Review Letters 2007 被引用: 4,950
- Four Generations of High-Dimensional Neural Network Potentials
著者: Jörg Behler - Chemical Reviews 2021 被引用: 856
- Atom-centered symmetry functions for constructing high-dimensional neural network potentials
著者: Jörg Behler - The Journal of Chemical Physics 2011 被引用: 1,620
- Perspective: Machine learning potentials for atomistic simulations
著者: Jörg Behler - The Journal of Chemical Physics 2016 被引用: 1,495
- A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer
著者: Tsz Wai Ko, Jonas A. Finkler, Stefan Goedecker, Jörg Behler - Nature Communications 2021 被引用: 503
- Constructing high‐dimensional neural network potentials: A tutorial review
著者: Jörg Behler - International Journal of Quantum Chemistry 2015 被引用: 879
- Machine learning molecular dynamics for the simulation of infrared spectra
著者: Michael Gastegger, Jörg Behler, Philipp Marquetand - Chemical Science 2017 被引用: 512
- Performance and Cost Assessment of Machine Learning Interatomic Potentials
著者: Yunxing Zuo, Chi Chen, Xiangguo Li, Zhi Deng, Yiming Chen, Jörg Behler, Gábor Cśanyi, Alexander V. Shapeev, Aidan P. Thompson, Mitchell Wood, Shyue Ping Ong - The Journal of Physical Chemistry A 2020 被引用: 927
- First Principles Neural Network Potentials for Reactive Simulations of Large Molecular and Condensed Systems
著者: Jörg Behler - Angewandte Chemie International Edition 2017 被引用: 733
- Machine learning potentials for extended systems: a perspective
著者: Jörg Behler, Gábor Cśanyi - The European Physical Journal B 2021 被引用: 219
- Representing potential energy surfaces by high-dimensional neural network potentials
著者: Jörg Behler - Journal of Physics Condensed Matter 2014 被引用: 410
- Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations
著者: Jörg Behler - Physical Chemistry Chemical Physics 2011 被引用: 815
- Ab initio thermodynamics of liquid and solid water
著者: Bingqing Cheng, Edgar A. Engel, Jörg Behler, Christoph Dellago, Michele Ceriotti - National Academy of Sciences, Proceedings of the National Academy of Sciences 2019 被引用: 363
- High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide
著者: Nongnuch Artrith, Tobias Morawietz, Jörg Behler - Physical Review B 2011 被引用: 410
- How van der Waals interactions determine the unique properties of water
著者: Tobias Morawietz, Andreas Singraber, Christoph Dellago, Jörg Behler - National Academy of Sciences, Proceedings of the National Academy of Sciences 2016 被引用: 499
- Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials
著者: Andreas Singraber, Jörg Behler, Christoph Dellago - Journal of Chemical Theory and Computation 2019 被引用: 295
- High-dimensional neural network potentials for metal surfaces: A prototype study for copper
著者: Nongnuch Artrith, Jörg Behler - Physical Review B 2012 被引用: 340
- Automatic selection of atomic fingerprints and reference configurations for machine-learning potentials
著者: Giulio Imbalzano, Andrea Anelli, Daniele Giofré, Sinja Klees, Jörg Behler, Michele Ceriotti - The Journal of Chemical Physics 2018 被引用: 301
- General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer
著者: Tsz Wai Ko, Jonas A. Finkler, Stefan Goedecker, Jörg Behler - Accounts of Chemical Research 2021 被引用: 136
- Parallel Multistream Training of High-Dimensional Neural Network Potentials
著者: Andreas Singraber, Tobias Morawietz, Jörg Behler, Christoph Dellago - Journal of Chemical Theory and Computation 2019 被引用: 228
- Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding
著者: Tsz Wai Ko, Jonas A. Finkler, Stefan Goedecker, Jörg Behler - Journal of Chemical Theory and Computation 2023 被引用: 47
- Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground
著者: Christoph Schran, Jörg Behler, Dominik Marx - Journal of Chemical Theory and Computation 2019 被引用: 136
- Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces
著者: Suresh Kondati Natarajan, Jörg Behler - Physical Chemistry Chemical Physics 2016 被引用: 216
- A Density-Functional Theory-Based Neural Network Potential for Water Clusters Including van der Waals Corrections
著者: Tobias Morawietz, Jörg Behler - The Journal of Physical Chemistry A 2013 被引用: 208
