Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms

We describe a global optimization technique using "basin-hopping" in which the potential energy surface is transformed into a collection of interpenetrating staircases. This method has been designed to exploit the features that recent work suggests must be present in an energy landscape fo...

Popoln opis

Bibliografske podrobnosti
Main Authors: Wales, D, Doye, J
Format: Journal article
Izdano: 1997