Origins of structural and electronic transitions in disordered silicon VL Deringer, N Bernstein, G Csányi, C Ben Mahmoud, M Ceriotti, ... Nature 589 (7840), 59-64, 2021 | 298 | 2021 |
Learning the electronic density of states in condensed matter C Ben Mahmoud, A Anelli, G Csányi, M Ceriotti Physical Review B 102 (23), 235130, 2020 | 116 | 2020 |
Finite-temperature materials modeling from the quantum nuclei to the hot electron regime N Lopanitsyna, C Ben Mahmoud, M Ceriotti Physical Review Materials 5 (4), 043802, 2021 | 28 | 2021 |
Robustness of local predictions in atomistic machine learning models S Chong, F Grasselli, C Ben Mahmoud, JD Morrow, VL Deringer, ... Journal of Chemical Theory and Computation 19 (22), 8020-8031, 2023 | 21 | 2023 |
Predicting hot-electron free energies from ground-state data C Ben Mahmoud, F Grasselli, M Ceriotti Physical Review B 106 (12), L121116, 2022 | 11 | 2022 |
Data as the next challenge in atomistic machine learning C Ben Mahmoud, JLA Gardner, VL Deringer Nature Computational Science, 1-4, 2024 | 7 | 2024 |
Miss Iona Anderson, Imperial College London, United Kingdom Dr Andy Anker, Technical University of Denmark and University of Oxford, Denmark and United Kingdom Dr Dmytro … MA Arya, MB Asher, A Aspuru-Guzik, MT Bechtel, G Bell, CB Mahmoud, ... Faraday Discuss 256, 696-699, 2025 | | 2025 |
Graph-neural-network predictions of solid-state NMR parameters from spherical tensor decomposition C Ben Mahmoud, LAM Rosset, JR Yates, VL Deringer arXiv preprint arXiv:2412.15063, 2024 | | 2024 |
Machine-learning the electronic density of states: electronic properties without quantum mechanics C Ben Mahmoud EPFL, 2023 | | 2023 |