Method for enhanced sampling in the simulations of dynamical systems

被引：1

作者：

Svishchev, IM ^{[1
]}

Kusalik, PG

机构：

[1] Trent Univ, Dept Chem, Peterborough, ON K9J 7B8, Canada

[2] Dalhousie Univ, Dept Chem, Halifax, NS B3H 4J3, Canada

来源：

PHYSICAL REVIEW E | 1999年 / 59卷 / 03期

关键词：

D O I：

10.1103/PhysRevE.59.3753

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：

An algorithm for enhanced configurational sampling in molecular dynamics simulations based on stochastic scaling of the intermolecular potential is described. It is implemented in simulations of homogeneous nucleation of a supercooled molecular liquid, carbon dioxide, resulting in significant savings of computer time. This method preserves a canonical form for the potential energy distribution and does not alter average dynamical properties for equilibrium systems. [S1063-651X(99)06603-9].

引用

页码：3753 / 3755

页数：3

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