文献
J-GLOBAL ID:201702254225599872
整理番号:17A0053495
巨大システムの量子力学的分子動力学シミュレーションを達成するための3つの柱:分割コンカー,強束縛と大規模並列計算
Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide-and-conquer, density-functional tight-binding, and massively parallel computation
著者 (11件):
Nishizawa Hiroaki
(Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki, 444-8585, Japan)
,
Nishimura Yoshifumi
(Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki, 444-8585, Japan)
,
Nishimura Yoshifumi
(Research Institute for Science and Engineering, Waseda University, Tokyo, 169-8555, Japan)
,
Kobayashi Masato
(Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo, 060-0810, Japan)
,
Kobayashi Masato
(ESICB, Kyoto University, Kyoto, 615-8520, Japan)
,
Kobayashi Masato
(PRESTO, Japan Science and Technology Agency, Kawaguchi, 332-0012, Japan)
,
Irle Stephan
(Department of Chemistry, Graduate School of Science, and Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya University, Nagoya, 464-8602, Japan)
,
Nakai Hiromi
(Research Institute for Science and Engineering, Waseda University, Tokyo, 169-8555, Japan)
,
Nakai Hiromi
(ESICB, Kyoto University, Kyoto, 615-8520, Japan)
,
Nakai Hiromi
(Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, Tokyo, 169-8555, Japan)
,
Nakai Hiromi
(CREST, Japan Science and Technology Agency, Kawaguchi, 332-0012, Japan)
資料名:
Journal of Computational Chemistry
(Journal of Computational Chemistry)
巻:
37
号:
21
ページ:
1983-1992
発行年:
2016年08月05日
JST資料番号:
C0111B
ISSN:
0192-8651
CODEN:
JCCHDD
資料種別:
逐次刊行物 (A)
記事区分:
原著論文
発行国:
アメリカ合衆国 (USA)
言語:
英語 (EN)