Documents publiés en "2022"

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

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

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