Towards large-scale fully ab initio calculations using fragment molecular orbital method on petascale computers

被引：0

作者：

Mayes, Maricris Lodriguito ^{[1
]}

Alexeev, Yuri ^{[2
]}

Fletcher, Graham ^{[2
]}

Gordon, Mark ^{[3
]}

机构：

[1] Univ Massachusetts Darmouth, Dept Chem & Biochem, N Dartmouth, MA 02747 USA

[2] Argonne Natl Lab, Leadership Comp Facil, Argonne, IL 60439 USA

[3] Iowa State Univ, Ames, IA 50011 USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2014年 / 248卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

481-PHYS

引用

页数：1

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