A Multiscale Perturbation Expansion Approach for Markov State Modeling of Nonstationary Molecular Dynamics
From MaRDI portal
Publication:4689160
DOI10.1137/17M1146403zbMath1401.60139MaRDI QIDQ4689160
Christof Schütte, Péter Koltai
Publication date: 15 October 2018
Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)
metastability; Markov state model; nonequilibrium molecular dynamics; nonstationary forcing; two-time scale master equation
60J20: Applications of Markov chains and discrete-time Markov processes on general state spaces (social mobility, learning theory, industrial processes, etc.)
60J60: Diffusion processes
82C31: Stochastic methods (Fokker-Planck, Langevin, etc.) applied to problems in time-dependent statistical mechanics
34E13: Multiple scale methods for ordinary differential equations
