Date: Thursday - 10:00 am - 12:00 pm
Location: Arnimallee 6, SR 025/026
Website:
https://www.zib.de/userpage/donati/
Content: Reaction rate theory is the study of the kinetic properties of natural phenomena that can be modelled as stochastic processes and is fundamental in many disciplines ranging from physics, chemistry, biology, and economics.
This seminar will review the state-of-the-art of methods used to calculate reaction rates, analysing both theoretical and practical aspects.
Projects
Lecture 6: ISOKANN algorithm
Suggested readings- Rabben R., 2020: ISOKANN: Invariant subspaces of Koopman operators learned by a neural network
- Donati L., 2024: The Kramers turnover in terms of a macro-state projection on phase space
Lecture 5: ISOKANN theory
- Weber M., 2017: A fuzzy-set theoretical framework for computing exit rates of rare events in potential-driven diffusion processes
- Lecture notes 7 from WS2324
- Baron P., 2017, Chp18.2: Mean first passage times
- Pavliotis G., 2014, Chp7.2: The Mean Exit Time
- Gzyl H., 1989: The Feynman-Kac Formula and and the Hamilton-Jacobi Equation
Lecture 4: PCCA+
- Lectures notes
- Slides
- Weber M., 2006 (chapter 3.4))
- Weber M., 2011 (chapter 3.3)
- Weber M., 2017
- Weber M., 2018 (pages 1-9)
Lecture 3: SqRA of the Infintesimal Generator
Suggested readings
Lecture 2: Transfer operator approach
Suggested readings
Lecture 1: Introduction, reaction rate theory, Kramers theory
Suggested readings
- Kramers H.A. 1940
- Baron P., 2017, Chp1: introduction to Reaction Rate Theory
- Baron P., 2017, Chp15: Overview of the Langevin equation and Fokker-Planck equation
- Baron P., 2017, Chp16: Kramers theory
