Unbiased Global Optimization of Lennard-Jones Clusters for N <= 201 by Conformational Space Annealing Method

Details Unbiased Global Optimization of Lennard-Jones Clusters for N <= 201 by Conformational Space Annealing Method Unbiased Global Optimization of Lennard-Jones Clusters for N <= 201 by Conformational Space Annealing Method

2003-07-29

arxiv.org/abs/cond-mat/0307690v1

Physics

Condensed Matter

Statistical Mechanics

revtex, 4 pages, 2 figures. Physical Review Letters, in press

Scientific paper

10.1103/PhysRevLett.91.080201

We apply the conformational space annealing (CSA) method to the Lennard-Jones clusters and find all known lowest energy configurations up to 201 atoms, without using extra information of the problem such as the structures of the known global energy minima. In addition, the robustness of the algorithm with respect to the randomness of initial conditions of the problem is demonstrated by ten successful independent runs up to 183 atoms. Our results indicate that the CSA method is a general and yet efficient global optimization algorithm applicable to many systems.

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