A hybrid LBFGS-DE algorithm for global optimization of the Lennard-Jones cluster problem

Authors

  • Ernesto P. Adorio ⋅ PH Department of Mathematics, University of the Philippines Diliman
  • Bobby O. Corpus ⋅ PH Department of Computer Science, University of the Philippines Diliman

Abstract

A limited memory BFGS (L-BFGS) algorithm is combined with a population based modified differential evolution (DE) algorithm for determining global minimum potential energy configurations of atom clusters using the unbiased potential Lennard-Jones function. Computational results for a C coded implementation are presented for clusters containing from 2 to 50 atoms. The hybrid algorithm is found to be a more reliable algorithm than a randomized L-BFGS algorithm alone in determining minimum energy clusters.

SPP 2004 Proceedings Cover

Downloads

Published

2004-10-25

Issue

2004: Proceedings of the 22nd Samahang Pisika ng Pilipinas Physics Congress

Section

Theoretical and Computational Physics

License

Copyright License Agreement for Full Articles

How to Cite

[1]
A hybrid LBFGS-DE algorithm for global optimization of the Lennard-Jones cluster problem, Proceedings of the Samahang Pisika ng Pilipinas 22, (2004). URL: https://proceedings.spp-online.org/article/view/SPP-2004-2A-03.