Jörg Behler

43PUBLICATIONS
67CO-AUTHORS
Computational chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Radiation and matterAtomic and molecular physicsSurface water hydrology
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Publications (43)

|Oct 20, 2026
runner 2.0: A software suite for high-dimensional neural network potentials.

|Sep 24, 2026
Insights into the Degradation Mechanism of Aqueous LiMn2O4-Cathode Interfaces by Computational Vibrational Spectroscopy.

|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

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Frequent Collaborators

5 joint publications

Matti Hellström

4 joint publications

Christoph Dellago

3 joint publications

Moritz Gubler

3 joint publications

Khosrow Shakouri