| Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon Y Lysogorskiy, C Oord, A Bochkarev, S Menon, M Rinaldi, ... npj computational materials 7 (1), 97, 2021 | 116 | 2021 |
| Atomic cluster expansion: Completeness, efficiency and stability G Dusson, M Bachmayr, G Csányi, R Drautz, S Etter, C van Der Oord, ... Journal of Computational Physics 454, 110946, 2022 | 103 | 2022 |
| Linear atomic cluster expansion force fields for organic molecules: beyond rmse DP Kovács, C Oord, J Kucera, AEA Allen, DJ Cole, C Ortner, G Csányi Journal of chemical theory and computation 17 (12), 7696-7711, 2021 | 96 | 2021 |
| Regularised atomic body-ordered permutation-invariant polynomials for the construction of interatomic potentials C van Der Oord, G Dusson, G Csányi, C Ortner Machine Learning: Science and Technology 1 (1), 015004, 2020 | 75 | 2020 |
| Hyperactive learning for data-driven interatomic potentials C van der Oord, M Sachs, DP Kovács, C Ortner, G Csányi npj Computational Materials 9 (1), 168, 2023 | 32 | 2023 |
| A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023 | 15 | 2023 |
| ACEpotentials. jl: A Julia implementation of the atomic cluster expansion WC Witt, C van der Oord, E Gelžinytė, T Järvinen, A Ross, JP Darby, ... The Journal of Chemical Physics 159 (16), 2023 | 11 | 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 |
