cluster: Searching for Unique Low Energy Minima of Structures Using a Novel Implementation of a Genetic Algorithm
A new flexible implementation of a genetic algorithm for locating unique low energy minima of isomers of clusters is described and tested. The strategy employed can be applied to molecular or atomic clusters and has a flexible input structure so that a system with several different elements can be b...
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| Published in | Journal of chemical theory and computation Vol. 10; no. 12; pp. 5729 - 5737 |
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| Main Authors | , |
| Format | Journal Article |
| Language | English |
| Published |
United States
American Chemical Society
09.12.2014
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| Online Access | Get full text |
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