Optimization methods for computing global minima of nonconvex potential energy functions

Panos M. Pardalos, David Shalloway, Guoliang Xue

Research output: Contribution to journalArticlepeer-review

58 Scopus citations


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
Issue number2
StatePublished - Mar 1994
Externally publishedYes


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

ASJC Scopus subject areas

  • Control and Optimization
  • Applied Mathematics
  • Business, Management and Accounting (miscellaneous)
  • Computer Science Applications
  • Management Science and Operations Research


Dive into the research topics of 'Optimization methods for computing global minima of nonconvex potential energy functions'. Together they form a unique fingerprint.

Cite this