Introduction
Chapter 1.Transfer Operator Approach to Conformation Dynamics
Chapter 2.Dynamics
2.1.Markov Processes and Transition Functions
2.2.Markov Processes in Molecular Dynamics
Chapter 3.Metastability
3.1.Hitting Times and Committors
3.2.Exit Times and Exit Rates
3.3.Metastable Full Partitions and Almost Invariance
3.4.Definitions of Metastability
Chapter 4.Transfer Operators and Generators
4.1.Transfer Operators in Molecular Dynamics
4.2.Mean Hitting Times and Committors
4.3.Dominant Eigenvalues
4.4.Spectral Approach to Metastability
4.5.Numerical Experiments
Chapter 5.Projected Transfer Operators
5.1.Galerkin Projection
5.2.Density Propagation Error
5.3.Eigenvalue Error
5.4.Committor Projection and Core Sets
5.5.Numerical Experiments
Chapter 6.Transition Path Theory
6.1.Reactive Trajectories
6.2.Illustrative Examples
Chapter 7.Concluding Remarks
Appendix A.Some Mathematical Aspects of Transfer Operators
Appendix B.Definition of Exit Rates
Bibliography