Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Baokun Lu"'
Publikováno v:
IPDPS
Material screening entails a large number of electronic structure simulations. Traditionally, these simulation runs are treated separately as solving independent Kohn-Sham (KS) equations. In this paper, we formulate material screening as an inter-job
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ad239caa069cda0b3ab34582999baf2d
https://doi.org/10.1109/ipdps47924.2020.00091
https://doi.org/10.1109/ipdps47924.2020.00091
Publikováno v:
CSE/EUC
Existing supercomputers have a lot of computing resources, the scalable parallel efficiency of supercomputers can significantly affect the wall time and core hours of jobs on supercomputers. In this paper, we take density functional theory based VASP
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7cbd7085e405959508e515781c6fa175
https://doi.org/10.1109/cse/euc.2019.00046
https://doi.org/10.1109/cse/euc.2019.00046
Publikováno v:
Chinese Physics B. 27:097102
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::493ece20d9bfb0011c4c8fb18c580432
https://doi.org/10.1088/1674-1056/27/9/097102
https://doi.org/10.1088/1674-1056/27/9/097102
Autor:
Baokun Lu, Chong-Yu Wang
Publikováno v:
Chinese Physics B. 27:077104
Using high-throughput first-principles calculations, we systematically studied the synergistic effect of alloying two elements (Al and 28 kinds of 3d, 4d, and 5d transition metals) on the elastic constants and elastic moduli of γ-Ni. We used machine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::363dbe8b3b0f38a44d1ca384184de81f
https://doi.org/10.1088/1674-1056/27/7/077104
https://doi.org/10.1088/1674-1056/27/7/077104
Publikováno v:
Chinese Physics B; Sep2018, Vol. 27 Issue 9, p1-1, 1p