Physical perspectives on the global optimization of atomic clusters
Jonathan P. K. Doye
Global Optimization: Scientific and Engineering Case Studies
(Nonconvex Optimization and Its Applications Series: Vol. 85),
ed. J.D. Pinter (Springer, 2006), pp. 103-139
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 ,