International Journal of applied mathematics and computer science

online read us now

Paper details

Number 3 - September 2011
Volume 21 - 2011

A neural-network controlled dynamic evolutionary scheme for global molecular geometry optimization

Anna Styrcz, Janusz Mrozek, Grzegorz Mazur

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.

global optimization, memetic algorithm, molecular geometry