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Some new methods in the evolutionary search of atomic cluster shape

Stasikowski A., Gwizdałła T.

Prace Naukowe Politechniki Warszawskiej. Elektronika

2008

z. 165

213-220

The problem of atomic structure optimization related to the minimization of its total energy is a fundamental physical problem as well as hard computational task. For the few last years we have presented some observations concerning the advantages and drawbacks of EA used as a tool to solve such questions. In this paper we would like to present some new approaches devoted to improve the general, not problem oriented part of algorithm. The results obtained for two techniques: population migration and Opposition-Based Learning show that the specific operators, designed for the given problem are still the most important part of algorithm.

Modeling of atomic clusters using evolutionary algorithms

Stasikowski A., Gwizdałła T.

Prace Naukowe Politechniki Warszawskiej. Elektronika

2007

z. 160

261-268

In the paper there is presented a process of preparation of tool to geometrical optimization of their total binding energy as well as some physical results. Initially the evolutionary algorithm (EA) was responsible for study of metal cluster described by three-body potential. Afterwards the algorithm was used to perform the exact investigations or rare gas clusters and their modifications by the alkali metal ion doping. The data presented here are the part pf PhD dissertation accepted by the Faculty of Physics of UŁ [1], where are detailed information can be found.