Your browser doesn't support javascript.
loading
Information thermodynamics of transition paths between multiple mesostates.
Louwerse, Miranda D; Sivak, David A.
Affiliation
  • Louwerse MD; Department of Physics, <a href="https://ror.org/0213rcc28">Simon Fraser University</a>, Burnaby, British Columbia, Canada V5A1S6.
  • Sivak DA; Department of Physics, <a href="https://ror.org/0213rcc28">Simon Fraser University</a>, Burnaby, British Columbia, Canada V5A1S6.
Phys Rev E ; 109(6-1): 064112, 2024 Jun.
Article in En | MEDLINE | ID: mdl-39020997
ABSTRACT
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.

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Phys Rev E Year: 2024 Document type: Article Country of publication: Estados Unidos

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Phys Rev E Year: 2024 Document type: Article Country of publication: Estados Unidos