The application of simulated annealing to problems of molecular mechanics

Jules W. Moskowitz, Kevin Schmidt, S. R. Wilson, W. Cui

Research output: Contribution to journalArticlepeer-review

20 Scopus citations

Abstract

The results of applying the simulated annealing method to find the lowest energy structure of the decane molecule are analyzed. The algorithm is found to be both efficient and economical. Some preliminary results are presented for a molecule of biochemical interest, Met‐enkephalin.

Original languageEnglish (US)
Pages (from-to)611-617
Number of pages7
JournalInternational Journal of Quantum Chemistry
Volume34
Issue number22 S
DOIs
StatePublished - 1988
Externally publishedYes

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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