A NEURAL-NETWORK CONTROLLED DYNAMIC EVOLUTIONARY SCHEME FOR GLOBAL MOLECULAR GEOMETRY OPTIMIZATION

作者：Styrcz Anna^*; Mrozek Janusz; Mazur Grzegorz

来源：International Journal of Applied Mathematics and Computer Science, 2011, 21(3): 559-566.

DOI：10.2478/v10006-011-0044-8

• global optimization
• memetic algorithm
• molecular geometry

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.

• 出版日期2011-9