1. Physical perspectives on the global optimization of atomic clusters
- Author
-
Jonathan P. K. Doye
- Subjects
Physics ,Transformation (function) ,Condensed Matter (cond-mat) ,Potential energy surface ,Structure (category theory) ,FOS: Physical sciences ,Nanotechnology ,Condensed Matter ,Physics - Atomic and Molecular Clusters ,Statistical physics ,Atomic and Molecular Clusters (physics.atm-clus) ,Global optimization - Abstract
In this chapter the physical aspects of the global optimization of the geometry of atomic clusters are elucidated. In particular, I examine the structural principles that determine the nature of the lowest-energy structure, the physical reasons why some clusters are especially difficult to optimize and how the basin-hopping transformation of the potential energy surface enables these difficult clusters to be optimized., Comment: 37 pages, 18 figures, chapter for forthcoming Kluwer book on global optimization
- Published
- 2019