Bibliographic Details
| Title: |
Non-Markovianity increases transition path probability |
| Authors: |
Brünig, Florian N., Dalton, Benjamin A., Daldrop, Jan O., Netz, Roland R. |
| Publication Year: |
2025 |
| Collection: |
Condensed Matter
Physics (Other) |
| Subject Terms: |
Physics - Chemical Physics, Condensed Matter - Statistical Mechanics, Physics - Biological Physics |
| More Details: |
Defining low-dimensional reaction coordinates is crucial for analyzing the dynamics of complex systems and for comparison with experiments. The maximal value of the transition-path probability along the reaction coordinate $x$, $p(\mathrm{TP}|x)$, is a common estimator for reaction-coordinate quality by comparing to the theoretical maximal value of 1/2 in the overdamped Markovian limit. We show by analytical arguments and simulations that for non-Markovian dynamics $p(\mathrm{TP}|x)$ is non-monotonic as a function of the memory time and exceeds 1/2 for long memory time. This disqualifies $p(\mathrm{TP}|x)$ as a criterion for reaction coordinate quality. |
| Document Type: |
Working Paper |
| Access URL: |
http://arxiv.org/abs/2501.04512 |
| Accession Number: |
edsarx.2501.04512 |
| Database: |
arXiv |
