Optimizing replica exchange moves for molecular dynamics

被引：21

作者：

Nadler, Walter ^{[1
]}

Hansmann, Ulrich H. E.

机构：

[1] Forschungszentrum Julich, John Von Neumann Inst Comp, D-52425 Julich, Germany

[2] Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA

来源：

PHYSICAL REVIEW E | 2007年 / 76卷 / 05期

关键词：

D O I：

10.1103/PhysRevE.76.057102

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

We sketch the statistical physics framework of the replica exchange technique when applied to molecular dynamics simulations. In particular, we draw attention to generalized move sets that allow a variety of optimizations as well as new applications of the method.

引用

页数：4

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