Optimization methods for computing global minima of nonconvex potential energy functions

Panos M. Pardalos, David Shalloway, Guoliang Xue

Research output: Contribution to journalArticle

52 Scopus citations

Abstract

The minimization of potential energy functions plays an important role in the determination of ground states or stable states of certain classes of molecular clusters and proteins. In this paper we introduce some of the most commonly used potential energy functions and discuss different optimization methods used in the minimization of nonconvex potential energy functions. A very complete bibliography is also given.

Original languageEnglish (US)
Pages (from-to)117-133
Number of pages17
JournalJournal of Global Optimization
Volume4
Issue number2
DOIs
StatePublished - Mar 1 1994
Externally publishedYes

Keywords

  • Molecular conformation
  • global optimization
  • nonconvex potential functions
  • parallel algorithms
  • protein folding
  • simulated annealing

ASJC Scopus subject areas

  • Computer Science Applications
  • Management Science and Operations Research
  • Control and Optimization
  • Applied Mathematics

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