Augmented transition path theory for sequences of events

Chatipat Lorpaiboon, Jonathan Weare, Aaron R. Dinner

Research output: Contribution to journalArticlepeer-review


Transition path theory provides a statistical description of the dynamics of a reaction in terms of local spatial quantities. In its original formulation, it is limited to reactions that consist of trajectories flowing from a reactant set A to a product set B. We extend the basic concepts and principles of transition path theory to reactions in which trajectories exhibit a specified sequence of events and illustrate the utility of this generalization on examples.

Original languageEnglish (US)
Article number094115
JournalJournal of Chemical Physics
Issue number9
StatePublished - Sep 7 2022

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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