| 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 | 10 | 2022 |
| 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 | 5 | 2023 |
| 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 | 3* | 2023 |
| 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, ... arXiv preprint arXiv:2403.15334, 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 |
