TY - GEN A1 - Sarich, Marco A1 - Schütte, Christof ED - Bowman, Gregory R. ED - Pande, Vijay S. ED - Noé, Frank T1 - Markov Model Theory T2 - An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation N2 - This section reviews the relation between the continuous dynamics of a molecular system in thermal equilibrium and the kinetics given by a Markov State Model (MSM). We will introduce the dynamical propagator, an error-less, alternative description of the continuous dynamics, and show how MSMs result from its discretization. This allows for an precise understanding of the approximation quality of MSMs in comparison to the continuous dynamics. The results on the approximation quality are key for the design of good MSMs. While this section is important for understanding the theory of discretization and related systematic errors, practitioners wishing only to learn how to construct MSMs may skip directly to the discussion of Markov model estimation. Y1 - 2014 U6 - https://doi.org/10.1007/978-94-007-7606-7 VL - 797 SP - 23 EP - 44 PB - Springer ER - TY - GEN A1 - Schütte, Christof A1 - Deuflhard, Peter A1 - Noé, Frank A1 - Weber, Marcus ED - Deuflhard, Peter ED - Grötschel, Martin ED - Hömberg, Dietmar ED - Horst, Ulrich ED - Kramer, Jürg ED - Mehrmann, Volker ED - Polthier, Konrad ED - Schmidt, Frank ED - Schütte, Christof ED - Skutella, Martin ED - Sprekels, Jürgen T1 - Design of functional molecules T2 - MATHEON-Mathematics for Key Technologies Y1 - 2014 VL - 1 SP - 49 EP - 65 PB - European Mathematical Society ER -