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 | 65 | 2023 |
Exploring the configurational space of amorphous graphene with machine-learned atomic energies Z El-Machachi, M Wilson, VL Deringer Chemical Science 13 (46), 13720-13731, 2022 | 14 | 2022 |
Machine-learned acceleration for molecular dynamics in CASTEP TK Stenczel, Z El-Machachi, G Liepuoniute, JD Morrow, AP Bartók, ... The Journal of Chemical Physics 159 (4), 2023 | 8 | 2023 |
Accelerated First‐Principles Exploration of Structure and Reactivity in Graphene Oxide Z El-Machachi, D Frantzov, A Nijamudheen, T Zarrouk, MA Caro, ... Angewandte Chemie International Edition, e202410088, 2024 | | 2024 |