English

Reactive trajectories and the transition path process

Probability 2013-03-08 v1

Abstract

We study the trajectories of a solution XtX_t to an It\^o stochastic differential equation in \Rmd\Rm^d, as the process passes between two disjoint open sets, AA and BB. These segments of the trajectory are called transition paths or reactive trajectories, and they are of interest in the study of chemical reactions and thermally activated processes. In that context, the sets AA and BB represent reactant and product states. Our main results describe the probability law of these transition paths in terms of a transition path process YtY_t, which is a strong solution to an auxiliary SDE having a singular drift term. We also show that statistics of the transition path process may be recovered by empirical sampling of the original process XtX_t. As an application of these ideas, we prove various representation formulas for statistics of the transition paths. We also identify the density and current of transition paths. Our results fit into the framework of the transition path theory by E and Vanden-Eijnden.

Keywords

Cite

@article{arxiv.1303.1744,
  title  = {Reactive trajectories and the transition path process},
  author = {Jianfeng Lu and James Nolen},
  journal= {arXiv preprint arXiv:1303.1744},
  year   = {2013}
}

Comments

37 pages, 3 figures

R2 v1 2026-06-21T23:38:18.801Z