Home

Publications

Research

Links


Cambridge
Cluster
Database

 

Physical perspectives on the global optimization of atomic clusters

Jonathan P. K. Doye

in

Global Optimization: Scientific and Engineering Case Studies
(Nonconvex Optimization and Its Applications Series: Vol. 85),
ed. J.D. Pinter (Springer, 2006), pp. 103-139

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.

The full paper is available from the Los Alamos preprint server (and mirrors: UK , France, Germany)