Jörg Behler

41PUBLICATIONS
61CO-AUTHORS
Radiation and matterAtomic and molecular physicsSurface water hydrologyComputational chemistryOptimisation
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Publications (41)

|Aug 25, 2026
Impact of the damping function in dispersion-corrected density functional theory on the properties of liquid water.

|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

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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