GAMaterial—A genetic‐algorithm software for material design and discovery

Genetic algorithms (GAs) are stochastic global search methods inspired by biological evolution. They have been used extensively in chemistry and materials science coupled with theoretical methods, ranging from force‐fields to high‐throughput first‐principles methods. The methodology allows an accura...

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Veröffentlicht in:Journal of computational chemistry 2023-03, Vol.44 (7), p.814-823
Hauptverfasser: Lourenço, Maicon Pierre, Hostaš, Jiří, Herrera, Lizandra Barrios, Calaminici, Patrizia, Köster, Andreas M., Tchagang, Alain, Salahub, Dennis R.
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Sprache:eng
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