Application of evolutionary algorithms to global cluster geometry optimization

被引：71

作者：

Hartke, B ^{[1
]}

机构：

[1] Univ Kiel, Inst Phys Chem, D-24098 Kiel, Germany

来源：

APPLICATIONS OF EVOLUTIONARY COMPUTATION IN CHEMISTRY | 2004年 / 110卷

关键词：

global optimization; atomic clusters; molecular clusters; structure; geometry;

D O I：

10.1007/b13932

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

This contribution focuses upon the application of evolutionary algorithms to the nondeterministic polynomial hard problem of global cluster geometry optimization. The first years of method development in this area are sketched briefly; followed by a characterization of the current state of the art by an overview of recent application work. Strengths and weaknesses of this approach are highlighted by comparison with alternative methods. Last but not least, current method development trends and desirable future development directions are summarized.

引用

页码：33 / 53

页数：21

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