Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Maurício Chagas da Silva"'
Autor:
Maurício Chagas Da Silva, Egon Campos Dos Santos, Maicon Pierre Lourenço, Mateus Pereira Gouvea, Hélio Anderson Duarte
Publikováno v:
Frontiers in Materials, Vol 2 (2015)
The electronic, structural and mechanical properties of the modified imogolites have been investigated using self consistent charge-density functional-tight binding method with a posteriori treatment of the dispersion interaction (SCC-DFTB-D). The zi
Externí odkaz:
https://doaj.org/article/1d626daeb25540b9b7d559b037e2c493
Autor:
Basile Herzog, Maurício Chagas da Silva, Bastien Casier, Michael Badawi, Fabien Pascale, Tomáš Bučko, Sébastien Lebègue, Dario Rocca
Machine learning thermodynamic perturbation theory (MLPT) is a promising approach to compute finite temperature properties when the goal is to compare several different levels of ab initio theory and/or to apply highly expensive computational methods
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c06d42849f69c114857ed3d07877b70
