Efficient Computation, Sensitivity, and Error Analysis of Committor Probabilities for Complex Dynamical Processes

DOI10.1137/100789191zbMath1237.60062OpenAlexW2010005232MaRDI QIDQ3098538

Jeremy C. Smith, Jan-Hendrik Prinz, Martin Held, Frank Noé

Publication date: 17 November 2011

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

Full work available at URL: https://semanticscholar.org/paper/122d237199dae05a46f3743bb5e15a7c06636f93

zbMATH Keywords

uncertainty estimationdiffusion dynamicsMarkov state modelcommittor probability

Mathematics Subject Classification ID

Computational methods in Markov chains (60J22) Numerical analysis or methods applied to Markov chains (65C40) Continuous-time Markov processes on discrete state spaces (60J27)

Related Items (5)

Coupling rare event algorithms with data-based learned committor functions using the analogue Markov chain ⋮ Local and global perspectives on diffusion maps in the analysis of molecular systems ⋮ Reactive trajectories and the transition path process ⋮ Optimal Estimation of Free Energies and Stationary Densities from Multiple Biased Simulations ⋮ Estimation and Validation of Markov Models

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