Dr. Luca Donati
Zuse Insitute Berlin
Personal Information
- Department: Modeling and Simulation of Complex Processes
- Research group: Computational Molecular Design
- Email: donati /at\ zib.de
- Office: 4033 (ZIB)
- Publications
- Past courses
- Stochastics IV WS2324
- Small Data Analysis 2024
- Student research group 2023
- Stochastics IV WS2223
- Github
Seminar SOSE2024
- Topic Stochastic Processes and Reaction Rate Theory
- Date and time Thursday, 10:00 - 12:00
- Location Room 25/26 at Arnimallee 6 (FU Berlin) on T from 12 to 14;
- The seminar will start on 18 April.
- 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.
- The course is highly interdisciplinary and students from physics, chemistry, and mathematics are encouraged to participate.
- Whiteboard page
- List of projects for the seminar
- Interpolation algorithms Strange attractors
- Lecture notes
- Slides 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 notes
- Slides Suggested readings
- 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 notes
- Slides
- Weber M., 2006 (chapter 3.4)
- Weber M., 2011 (chapter 3.3)
- Weber M., 2017
- Weber M., 2018 (pages 1-9)
- Lecture notes
- Revised calendar Suggested readings
- Donati L., 2018
- Donati L., 2021
- Lectures notes
- Slides Suggested readings
- Schütte C., 1999, Transfer Operator Approach to Conformational Dynamics in Biomolecular Systems
- Lecture notes
- Introduction to the seminar
- Slides 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
Projects
Lecture 6: ISOKANN algorithm
Lecture 5: ISOKANN theory
Lecture 4: PCCA+
Lecture 3: SqRA of the Infintesimal Generator
Lecture 2: Transfer operator approach
Lecture 1: Introduction, reaction rate theory, Kramers theory