Four Generations of High-Dimensional Neural Network Potentials von Behler, Jörg

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Perspective: Machine learning potentials for atomistic simulations von Behler, Jörg

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Constructing high-dimensional neural network potentials: A tutorial review von Behler, Jörg

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Atom-centered symmetry functions for constructing high-dimensional neural network potentials von Behler, Jörg

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Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials von Singraber, Andreas, Behler, Jörg, Dellago, Christoph

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A Density-Functional Theory-Based Neural Network Potential for Water Clusters Including van der Waals Corrections von Morawietz, Tobias, Behler, Jörg

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Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground von Schran, Christoph, Behler, Jörg, Marx, Dominik

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Parallel Multistream Training of High-Dimensional Neural Network Potentials von Singraber, Andreas, Morawietz, Tobias, Behler, Jörg, Dellago, Christoph

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From Molecular Fragments to the Bulk: Development of a Neural Network Potential for MOF‑5 von Eckhoff, Marco, Behler, Jörg

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A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer von Ko, Tsz Wai, Finkler, Jonas A., Goedecker, Stefan, Behler, Jörg

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Machine learning molecular dynamics for the simulation of infrared spectra von Gastegger, Michael, Behler, Jörg, Marquetand, Philipp

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How to train a neural network potential von Tokita, Alea Miako, Behler, Jörg

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General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer von Ko, Tsz Wai, Finkler, Jonas A, Goedecker, Stefan, Behler, Jörg

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Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance von Lu, Dandan, Behler, Jörg, Li, Jun

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Accurate Neural Network Description of Surface Phonons in Reactive Gas–Surface Dynamics: N2 + Ru(0001) von Shakouri, Khosrow, Behler, Jörg, Meyer, Jörg, Kroes, Geert-Jan

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Performance and Cost Assessment of Machine Learning Interatomic Potentials von Zuo, Yunxing, Chen, Chi, Li, Xiangguo, Deng, Zhi, Chen, Yiming, Behler, Jörg, Csányi, Gábor, Shapeev, Alexander V, Thompson, Aidan P, Wood, Mitchell A, Ong, Shyue Ping

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Machine learning potentials for extended systems: a perspective von Behler, Jörg, Csányi, Gábor

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Proton-Transfer Mechanisms at the Water–ZnO Interface: The Role of Presolvation von Quaranta, Vanessa, Hellström, Matti, Behler, Jörg

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How van der Waals interactions determine the unique properties of water von Morawietz, Tobias, Singraber, Andreas, Dellago, Christoph, Behler, Jörg

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Ab initio thermodynamics of liquid and solid water von Cheng, Bingqing, Engel, Edgar A., Behler, Jörg, Dellago, Christoph, Ceriotti, Michele

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