Replica-exchange molecular dynamics simulation for supercooled liquids

被引：71
|
作者：
Yamamoto, R [1 ]
Kob, W
机构：
[1] Kyoto Univ, Dept Phys, Kyoto 6068502, Japan
[2] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany
来源：
PHYSICAL REVIEW E | 2000年 / 61卷 / 05期
关键词：
D O I：
10.1103/PhysRevE.61.5473
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 investigate to what extend the replica-exchange Monte Carlo method is able to equilibrate a simple liquid in its supercooled state. We find that this method does indeed allow us to generate accurately the canonical distribution function even at low temperatures and that its efficiency is about 10-100 times higher than the usual canonical molecular dynamics simulation.
引用
收藏
页码：5473 / 5476
页数：4
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