Unbiased Global Optimization of Lennard-Jones Clusters forUsing the Conformational Space Annealing Method
- 21 August 2003
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 91 (8) , 080201
- https://doi.org/10.1103/physrevlett.91.080201
Abstract
We apply the conformational space annealing 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 this method is a general and yet efficient global optimization algorithm applicable to many systems.Keywords
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