Correcting mesh-based force calculations to conserve both energy and momentum in molecular dynamics simulations

被引：23

作者：

Skeel, Robert D.

Hardy, David J.

Phillips, James C.

机构：

[1] Purdue Univ, Dept Comp Sci, W Lafayette, IN 47907 USA

[2] Univ Illinois, Beckman Inst, Urbana, IL 61801 USA

来源：

JOURNAL OF COMPUTATIONAL PHYSICS | 2007年 / 225卷 / 01期

关键词：

molecular dynamics; Ewald sum; force fields;

D O I：

10.1016/j.jcp.2007.03.010

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

[No abstract available]

引用

页码：1 / 5

页数：5

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