Information thermodynamics of transition paths between multiple mesostates
Creators
- 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
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- Subject category
- S97: MATHEMATICAL METHODS AND COMPUTING; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- ASYMMETRY; COORDINATES; DYNAMICAL SYSTEMS; DYNAMICS; INFORMATION; INFORMATION THEORY; LIMIT CYCLE; MARKOV PROCESS; MATHEMATICAL EVOLUTION; METASTABLE STATES; REACTIVITY; SAMPLING; STATISTICAL MECHANICS; THERMODYNAMICS; TRAJECTORIES
- Descriptors DEC
- ATTRACTORS; ENERGY LEVELS; EVOLUTION; EXCITED STATES; MECHANICS; STOCHASTIC PROCESSES
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