Computing the Minimal Rebinding Effect for NonReversible Processes

DOI10.1137/20M1334966zbMath1465.60067arXiv2007.08403OpenAlexW3138566856MaRDI QIDQ5857930

Susanne Röhl, Marcus Weber, Konstantin Fackeldey

Publication date: 8 April 2021

Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2007.08403

zbMATH Keywords

Schur decompositionMarkov state modelmolecular kineticsrebinding

Mathematics Subject Classification ID

Computational methods in Markov chains (60J22) Markov chains (discrete-time Markov processes on discrete state spaces) (60J10) Dynamic continuum models (systems of particles, etc.) in time-dependent statistical mechanics (82C21) Stochastic matrices (15B51)

Uses Software

• Matlab

Cites Work

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• Finding metastabilities in reversible Markov chains based on incomplete sampling
• Robust Perron cluster analysis in conformation dynamics
• An introduction to Markov state models and their application to long timescale molecular simulation
• A Square Root Approximation of Transition Rates for a Markov State Model
• Computing the Minimal Rebinding Effect Included in a Given Kinetics
• Matlab code for sorting real Schur forms

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