English

Global Optimization by Adiabatic Switching

Computational Physics 2016-09-08 v1 Atomic and Molecular Clusters

Abstract

We apply a recently introduced method for global optimization to determine the ground state energy and configuration for model metallic clusters. The global minimum for a given N-atom cluster is found by following the damped dynamics of the N particle system on an evolving potential energy surface. In this application, the time dependent interatomic potential interpolates adiabatically between the Lennard-Jones (LJ) and the Sutton-Chen (SC) forms. Starting with an ensemble of initial conditions corresponding to the ground state configuration of the Lennard-Jones cluster, the system asymptotically reaches the ground state of the Sutton-Chen cluster. We describe the method and present results for specific cluster size N=15, when the ground state symmetry of LJN_N and SCN_N differ.

Keywords

Cite

@article{arxiv.physics/0202032,
  title  = {Global Optimization by Adiabatic Switching},
  author = {Jagtar S. Hunjan and Ram Ramaswamy},
  journal= {arXiv preprint arXiv:physics/0202032},
  year   = {2016}
}