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Wojciech G. Stark
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NQCDynamics. jl: A Julia package for nonadiabatic quantum classical molecular dynamics in the condensed phase
J Gardner, OA Douglas-Gallardo, WG Stark, J Westermayr, SM Janke, ...
The Journal of Chemical Physics 156 (17), 2022
122022
Machine learning interatomic potentials for reactive hydrogen dynamics at metal surfaces based on iterative refinement of reaction probabilities
WG Stark, J Westermayr, OA Douglas-Gallardo, J Gardner, S Habershon, ...
The Journal of Physical Chemistry C 127 (50), 24168-24182, 2023
112023
Ab initio calculation of electron-phonon linewidths and molecular dynamics with electronic friction at metal surfaces with numeric atom-centred orbitals
CL Box, WG Stark, RJ Maurer
Electronic Structure 5 (3), 035005, 2023
112023
Benchmarking of machine learning interatomic potentials for reactive hydrogen dynamics at metal surfaces
WG Stark, C van der Oord, I Batatia, Y Zhang, B Jiang, G Csányi, ...
Machine Learning: Science and Technology 5 (3), 030501, 2024
72024
Machine learning configuration-dependent friction tensors in Langevin heatbaths
M Sachs, WG Stark, R Maurer, C Ortner
Machine Learning: Science and Technology, 2025
2025
Room Temperature Hydrogen Atom Scattering Experiments Are Not a Sufficient Benchmark to Validate Electronic Friction Theory
CL Box, N Hertl, WG Stark, RJ Maurer
The Journal of Physical Chemistry Letters 15 (51), 12520-12525, 2024
2024
Benchmarking machine-learned interatomic potential methods for reactive molecular dynamics at metal surfaces
W Stark, J Westermayr, C van der Oord, G Csanyi, R Maurer
APS March Meeting Abstracts 2023, N60. 002, 2023
2023
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Articles 1–7