Generalized-ensemble Monte Carlo method for systems with rough energy landscape

被引：116

作者：

Hansmann, UHE

Okamoto, Y

机构：

[1] Department of Theoretical Studies, Institute for Molecular Science, Okazaki, Aichi

来源：

PHYSICAL REVIEW E | 1997年 / 56卷 / 02期

关键词：

D O I：

10.1103/PhysRevE.56.2228

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 present a Monte Carlo algorithm which enhances equilibrization of low-temperature simulations and allows sampling of configurations over a large range of energies. The method is based on a non-Boltzmann probability weight factor and is another version of the so-called generalized-ensemble techniques. The effectiveness of the approach is demonstrated for the system of a small peptide, an example of the frustrated system with a rugged energy landscape.

引用

页码：2228 / 2233

页数：6

共 23 条

[1] Generalized simulated annealing algorithms using Tsallis statistics: Application to conformational optimization of a tetrapeptide [J].