期刊
CHEMICAL PHYSICS LETTERS
卷 335, 期 5-6, 页码 435-439出版社
ELSEVIER
DOI: 10.1016/S0009-2614(01)00055-0
关键词
-
We propose an extension of replica-exchange Monte Carlo method for canonical ensemble to isothermal-isobaric ensemble as an effective method to search for stable states quickly and widely in complex configuration space. We investigated the efficiency of the new method on a benchmark testing system which consists of 256 Lennard-Jones particles. The new method enables us to shorten dramatically the relaxation time of phase change from liquid structure to crystal structure in comparison with the conventional Monte Carlo method. (C) 2001 Elsevier Science B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据