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Zakariya El-Machachi
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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
1822023
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
142022
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
112023
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 63 (52), e202410088, 2024
12024
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Articles 1–4