Thermodynamics and the global optimization of Lennard-Jones clusters

Theoretical design of global optimization algorithms can profitably utilize recent statistical mechanical treatments of potential energy surfaces (PES's). Here we analyze the basin-hopping algorithm to explain its success in locating the global minima of Lennard-Jones (LJ) clusters, even those...

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Autors principals: Doye, J, Wales, D, Miller, M
Format: Journal article
Idioma:English
Publicat: 1998