A Hybrid Evolutionary Algorithm for Cluster Geometry Optimization: The Importance of Structural Elitism

Author

Pereira, Francisco B. ; Marques, Jorge M C

Author_Institution

Inst. Super. de Eng. de Coimbra, Coimbra

fYear

2008

fDate

10-12 Sept. 2008

Firstpage

911

Lastpage

914

Abstract

We report a detailed analysis on the effect of structural elitism in the global minimum search of atomic clusters by a hybrid evolutionary algorithm. Structural elitism allows to preserve a certain diversity in the population and is based on the classification of clusters as spheric, oblate, prolate or asymmetric according to their shape. The search algorithm has been applied to perform the global optimization of Morse clusters between 30 and 50 atoms. Results show that the structural elitism enhances the ability of the algorithm to discover the putative global minima.

Keywords

Morse potential; atomic clusters; evolutionary computation; molecular configurations; optimisation; physics computing; atomic clusters; cluster geometry optimization; global minimum search; global optimization of Morse clusters; hybrid evolutionary algorithm; search algorithm; structural elitism; Algorithm design and analysis; Bonding; Clustering algorithms; Computational efficiency; Evolutionary computation; Geometry; Hybrid intelligent systems; Potential energy; Power system modeling; Shape; Diversity; Elitism; Evolutionary Computation;

fLanguage

English

Publisher

ieee

Conference_Titel

Hybrid Intelligent Systems, 2008. HIS '08. Eighth International Conference on

Conference_Location

Barcelona

Print_ISBN

978-0-7695-3326-1

Electronic_ISBN

978-0-7695-3326-1

Type

conf

DOI

10.1109/HIS.2008.98

Filename

4626748