Augmented Transition Path Theory for Sequences of Events

Abstract

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.

16 pages, 8 figures

References in corpus (3)

• Transition paths of marine debris and the stability of the garbage patches
• Learning forecasts of rare stratospheric transitions from short simulations
• Computing transition path theory quantities with trajectory stratification

Cited by in corpus (3)

• Predicting rare events using neural networks and short-trajectory data
• Inexact iterative numerical linear algebra for neural network-based spectral estimation and rare-event prediction
• Computing transition path theory quantities with trajectory stratification