Transition-path theory and path-finding algorithms for the study of rare events

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Abstract

Transition-path theory is a theoretical framework for describing rare events in complex systems. It can also be used as a starting point for developing efficient numerical algorithms for analyzing such rare events. Here we review the basic components of transition-path theory and path-finding algorithms. We also discuss connections with the classical transition-state theory.

Original languageEnglish (US)
Pages (from-to)391-420
Number of pages30
JournalAnnual Review of Physical Chemistry
Volume61
DOIs
StatePublished - May 5 2010

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Keywords

  • Activated process
  • Minimum free energy path
  • String method
  • Transition-state theory

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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