Published June 4, 2024 | Version v1
Journal article

Information thermodynamics of transition paths between multiple mesostates

  • 1. Department of Physics, Simon Fraser University, Burnaby, British Columbia, Canada V5A1S6

Description

A central concern across the natural sciences is a quantitative understanding of the mechanism governing rare transitions between two metastable states. Recent research has uncovered a fundamental equality between the time-reversal asymmetry of the ensemble of such transition paths and the informativeness of system dynamics about the reactivity of a given trajectory, immediately leading to quantitative criteria for judging the importance of distinct system coordinates for the transition. Here we generalize this framework to multiple mesostates. We find that the main system-wide and coordinate-specific results generalize intuitively, while the combinatorial diversity of pairwise transitions raises new questions and points to new concepts. This work increases the previous framework's generality and applicability and forges connections to enhanced-sampling and coarse-grained dynamical approaches such as milestoning and Markov-state models.

Additional details

Identifiers

DOI
10.1103/PhysRevE.109.064112;
arXiv
arXiv:2312.12767;
Crossref Funder ID
10.13039/501100000038;

Publishing Information

Journal Title
Physical Review E
Journal Volume
109
Journal Issue
6
Journal Page Range
11 pgs.
ISSN
1089-3787

Optional Information

Copyright
©2024 American Physical Society
Contract/Grant/Project number
RGPIN-2020-04950
Notes
Present address: AbCellera Biologics Inc., Vancouver, British Columbia, Canada.; Contact Email: dsivak@sfu.ca; Record automatically processed
Funding organization
Natural Sciences and Engineering Research Council of Canada