文章基本信息

标题：A neural-network controlled dynamic evolutionary scheme for global molecular geometry optimization
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作者：Anna Styrcz ; Janusz Mrozek ; Grzegorz Mazur 等
期刊名称：International Journal of Applied Mathematics and Computer Science
电子版ISSN：2083-8492
出版年度：2011
卷号：21
期号：3
DOI：10.2478/v10006-011-0044-8
出版社：De Gruyter Open
摘要：A novel, neural network controlled, dynamic evolutionary algorithm is proposed for the purposes of molecular geometry optimization. The approach is tested for selected model molecules and some molecular systems of importance in biochemistry. The new algorithm is shown to compare favorably with the standard, statically parametrized memetic algorithm
关键词：global optimization; memetic algorithm; molecular geometry