Optimal control of molecular dynamics using Markov state models

DOI10.1007/s10107-012-0547-6zbMath1262.49036MaRDI QIDQ715243

Carsten Hartmann, Christof Schütte, Stefanie Winkelmann

Publication date: 2 November 2012

Published in: Mathematical Programming. Series A. Series B (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10107-012-0547-6

zbMATH Keywords

optimal control; Hamilton-Jacobi-Bellman equation; ergodic control; molecular dynamics; Markov state models

Mathematics Subject Classification ID

49M25: Discrete approximations in optimal control

74A25: Molecular, statistical, and kinetic theories in solid mechanics

60J28: Applications of continuous-time Markov processes on discrete state spaces