transition path theory

GPTKB entity

Statements (25)
Predicate Object
gptkbp:instanceOf gptkb:logic
gptkbp:analyzes ensembles of reactive trajectories
gptkbp:appliesTo Markov processes
stochastic dynamics
gptkbp:describes rare events
transition pathways
gptkbp:field gptkb:statistical_mechanics
chemical physics
https://www.w3.org/2000/01/rdf-schema#label transition path theory
gptkbp:introduced gptkb:David_Chandler
Christof Dellago
Peter G. Bolhuis
Phillip L. Geissler
gptkbp:introducedIn 2002
gptkbp:provides mechanistic insight into transitions
probability fluxes between states
rate constants for transitions
gptkbp:publishedIn gptkb:Annual_Review_of_Physical_Chemistry
gptkbp:relatedTo transition state theory
reaction coordinate
committor function
gptkbp:usedFor studying molecular dynamics
analyzing reaction mechanisms
gptkbp:bfsParent gptkb:Maria_Cameron
gptkbp:bfsLayer 8