검색결과 : 5건
| No. | Article |
|---|---|
| 1 |
Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods Legrain F, Carrete J, van Roekeghem A, Madsen GKH, Mingo N Journal of Physical Chemistry B, 122(2), 625, 2018 |
| 2 |
Highly accurate local pseudopotentials of Li, Na, and Mg for orbital free density functional theory Legrain F, Manzhos S Chemical Physics Letters, 622, 99, 2015 |
| 3 |
Aluminum doping improves the energetics of lithium, sodium, and magnesium storage in silicon: A first-principles study Legrain F, Manzhos S Journal of Power Sources, 274, 65, 2015 |
| 4 |
Insertion energetics of lithium, sodium, and magnesium in crystalline and amorphous titanium dioxide: A comparative first-principles study Legrain F, Malyi O, Manzhos S Journal of Power Sources, 278, 197, 2015 |
| 5 |
Comparative computational study of the diffusion of Li, Na, and Mg in silicon including the effect of vibrations Legrain F, Malyi OI, Manzhos S Solid State Ionics, 253, 157, 2013 |