Applications of Genetic Algorithms in cluster optimisation

Citation
S. Hobday et R. Smith, Applications of Genetic Algorithms in cluster optimisation, MOL SIMULAT, 25(1-2), 2000, pp. 93-120
Citations number
24
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR SIMULATION
ISSN journal
08927022 → ACNP
Volume
25
Issue
1-2
Year of publication
2000
Pages
93 - 120
Database
ISI
SICI code
0892-7022(2000)25:1-2<93:AOGAIC>2.0.ZU;2-R
Abstract
Applications of Genetic Algorithms For optimisation of atomic clusters are reported. It is shown that the genetic algorithms are very useful tools for determining the minimum energy structures of clusters of atoms described b y interatomic potential functions containing up to a few hundred atoms. The algorithm generally outperforms other optimisation methods for this task. A number of applications are given including covalent carbon and silicon cl usters, close-packed structures such as argon and silver and the two-compon ent C-H system.