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Jörg Behler

40PUBLICATIONS

59CO-AUTHORS

Atomic and molecular physicsSurface water hydrologyComputational chemistryOptimisationTheoretical quantum chemistry

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Publications (40)

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|Nov 21, 2025

Long-Range Interactions in High-Dimensional Neural Network Potentials: A Benchmark Study for Small Organic Molecules.

Nguyen Thien Phuc Tu, Alexander L M Knoll, Jörg Behler

|Oct 06, 2025

Computation of the heat capacity of water from first principles.

Motoyuki Shiga, Jan Elsner, Jörg Behler

|May 06, 2025

Free energy profiles for chemical reactions in solution from high-dimensional neural network potentials: The case of the Strecker synthesis.

Alea Miako Tokita, Timothée Devergne, A Marco Saitta

|Mar 25, 2025

Iterative charge equilibration for fourth-generation high-dimensional neural network potentials.

Emir Kocer, Andreas Singraber, Jonas A Finkler

|Mar 03, 2025

Accuracy of charge densities in electronic structure calculations.

Moritz Gubler, Moritz R Schäfer, Jörg Behler

|Jan 14, 2025

Random Sampling Versus Active Learning Algorithms for Machine Learning Potentials of Quantum Liquid Water.

Nore Stolte, János Daru, Harald Forbert

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Frequent Collaborators

5 joint publications

Matti Hellström

4 joint publications

Christoph Dellago

3 joint publications

Khosrow Shakouri

3 joint publications

Geert-Jan Kroes

3 joint publications

Tsz Wai Ko

3 joint publications

Andreas Singraber

2 joint publications

Vanessa Quaranta

2 joint publications

Jörg Meyer

2 joint publications

Michele Ceriotti

2 joint publications

Regine Herbst-Irmer

Frequent Collaborators

5 joint publications

Matti Hellström

4 joint publications

Christoph Dellago

3 joint publications

Khosrow Shakouri

3 joint publications

Geert-Jan Kroes

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