Simple energy minimization for huge Lennard-Jones clusters by dramatic parameter reduction

Y. Deng, C. Rivera

Research output: Contribution to journalArticlepeer-review

Abstract

We have designed several schemes to reduce the number of parameters in the problem of minimizing the total energy of Lennard-Jones clusters. We will discuss our schemes development in three dimensions. The value of our work lies in the simplicity with which it provides a new approach to problems involving huge Lennard-Jones clusters.

Original languageEnglish (US)
Pages (from-to)119-124
Number of pages6
JournalApplied Mathematics Letters
Volume12
Issue number3
DOIs
StatePublished - May 1999

Keywords

  • Asymptotic values
  • Lennard-Jones clusters
  • Optimization

ASJC Scopus subject areas

  • Applied Mathematics

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