Applications of Genetic Algorithms in cluster optimisation

被引：6

作者：

Hobday, S ^{[1
]}

Smith, R ^{[1
]}

机构：

[1] Loughborough Univ Technol, Sch Math & Phys, Loughborough LE11 3TU, Leics, England

来源：

MOLECULAR SIMULATION | 2000年 / 25卷 / 1-2期

关键词：

genetic algorithm; atomic clusters;

D O I：

10.1080/08927020008044115

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Applications of Genetic Algorithms For optimisation of atomic clusters are reported. It is shown that the genetic algorithms are very useful tools for determining the minimum energy structures of clusters of atoms described by interatomic potential functions containing up to a few hundred atoms. The algorithm generally outperforms other optimisation methods for this task. A number of applications are given including covalent carbon and silicon clusters, close-packed structures such as argon and silver and the two-component C-H system.

引用

页码：93 / 120

页数：28

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