A scheme that reduces the calculations of ground-state properties of systems of interacting
particles exactly to the solution of single-particle Hartree-type equations has obvious …

The structural properties of free nanoclusters are reviewed. Special attention is paid to the
interplay of energetic, thermodynamic, and kinetic factors in the explanation of cluster …

We present a method for reliably determining the lowest energy structure of an atomic
cluster in an arbitrary model potential. The method is based on a genetic algorithm, which …

We investigate the structures of clusters bound by the Morse potential by map** the
structure of the global minimum as a function of both cluster size and the range of the pair …

A genetic algorithm isused to find the global minimum energy structure for Si* on an
empirical potential energy surface. Given a suitable encoding of the cluster geometry, and …

A genetic algorithm approach is applied to the optimization of the potential energy of a wide
range of binary metallic nanoclusters, Ag–Cu, Ag–Ni, Au–Cu, Ag–Pd, Ag–Au, and Pd–Pt …

Significant progress has been made in the field of a priori crystal structure prediction, with a
number of recent remarkable success stories. Herein, we briefly outline the methods that …

Theoretical design of global optimization algorithms can profitably utilize recent statistical
mechanical treatments of potential energy surfaces (PES's). Here we analyze a particular …

Novel implementation of the evolutionary approach known as particle swarm optimization
(PSO) capable of finding the global minimum of the potential energy surface of atomic …

The geometries of low‐lying isomers of phosphorus clusters P2 to P8 have been calculated
using a density functional (DF) method, combined with molecular dynamics (MD) and …