Documents publiés en "2022"

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Jay, A., Gunde, M., Salles, N., Poberžnik, M., Martin-Samos, L., Richard, N., de Gironcoli, S., Mousseau, N., & Hémeryck, A. (2022). Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces. Computational Materials Science, 209, 111363 (9 pages). Lien externe

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Lapointe, C., Swinburne, T. D., Proville, L., Becquart, C., Mousseau, N., & Marinica, M.-C. (2022). Machine learning surrogate models for strain-dependent vibrational properties and migration rates of point defects. Physical Review Materials, 6(11), 113803 (15 pages). Lien externe

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Restrepo, Ó. A., Arnache, Ó., Restrepo, J., Becquart, C., & Mousseau, N. (2022). Comparison of bulk basic properties with different existing Ni-Fe-O empirical potentials for Fe₃O₄ and NiFe₂O₄ spinel ferrites. Computational Materials Science, 213, 111653 (16 pages). Lien externe

Restrepo, Ó. A., Arnache, Ó., Restrepo, J., Becquart, C., & Mousseau, N. (2022). Structural modeling of ZnFe₂O₄ systems using Buckingham potentials with static molecular dynamics. Solid State Communications, 354, 114914 (9 pages). Lien externe