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Combining genetic algorithm and simulated annealing: A molecular geometry optimization study
(1998-04-14)
We introduce a new hybrid approach to determine the ground state geometry of molecular systems. Firstly, we compared the ability of genetic algorithm (GA) and simulated annealing (SA) to find the lowest energy geometry of ...
Combining genetic algorithm and simulated annealing: A molecular geometry optimization study
(1998-04-14)
We introduce a new hybrid approach to determine the ground state geometry of molecular systems. Firstly, we compared the ability of genetic algorithm (GA) and simulated annealing (SA) to find the lowest energy geometry of ...
Big bang methodology applied to atomic clusters
(2011)
An implementation of a novel strategy for cluster geometry optimization, using a stochastic method, is applied. This algorithm is based on the spirit of Big Bang theory. The strategy consists on a three-step procedure; a ...
Calculated geometry and paramagnetic hyperfine structure of the cu-7 cluster
(ELSEVIER SCIENCE PUBLISHERS B.V., 2004)
Calculated geometry and paramagnetic hyperfine structure of the cu-7 cluster
(ELSEVIER SCIENCE PUBLISHERS B.V., 2004)
Effect of ni and pd on the geometry, electronic properties, and active sites of copper clusters
(AMERICAN CHEMICAL SOCIETY, 2006)