Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W AM Goryaeva, J Dérès, C Lapointe, P Grigorev, TD Swinburne, ... Physical Review Materials 5 (10), 103803, 2021 | 42 | 2021 |
Reinforcing materials modelling by encoding the structures of defects in crystalline solids into distortion scores AM Goryaeva, C Lapointe, C Dai, J Dérès, JB Maillet, MC Marinica Nature communications 11 (1), 4691, 2020 | 36 | 2020 |
Extrapolating unconverged GW energies up to the complete basis set limit with linear regression F Bruneval, I Maliyov, C Lapointe, MC Marinica Journal of Chemical Theory and Computation 16 (7), 4399-4407, 2020 | 21 | 2020 |
Interatomic potentials for irradiation-induced defects in iron R Alexander, L Proville, CS Becquart, AM Goryeava, J Dérès, C Lapointe, ... Journal of Nuclear Materials 535, 152141, 2020 | 19 | 2020 |
Machine learning surrogate models for prediction of point defect vibrational entropy C Lapointe, TD Swinburne, L Thiry, S Mallat, L Proville, CS Becquart, ... Physical Review Materials 4 (6), 063802, 2020 | 19 | 2020 |
Machine learning surrogate models for strain-dependent vibrational properties and migration rates of point defects C Lapointe, TD Swinburne, L Proville, CS Becquart, N Mousseau, ... Physical Review Materials 6 (11), 113803, 2022 | 6 | 2022 |
Anharmonic thermo-elasticity of tungsten from accelerated bayesian adaptive biasing force calculations with data-driven force fields A Zhong, C Lapointe, AM Goryaeva, J Baima, M Athènes, MC Marinica Physical Review Materials 7 (2), 023802, 2023 | 4 | 2023 |
Modélisation multi-échelles des défauts d'irradiation dans les métaux cubiques centrés C Lapointe Centrale Lille Institut, 2022 | | 2022 |
Multi-scale modelling of point defects in body-centered cubic metals C Lapointe Ecole Centrale de Lille, 2022 | | 2022 |
Metamodels for vibrational entropy in iron C Lapointe, MC Marinica, C Becquart Euromat, 2019 | | 2019 |