Non-equilibrium statistical mechanics simulations
Frequency
Every year
Summary
This course will introduce important results in non-equilibrium statistical mechanics and algorithms to compute propertis out-of equilibrium. Coding exercises will deepen understanding of the formal results and provide insight in the physics of open systems.
Content
The numerical simulation of open systems plays a key role in modern physics. This course introduces to important formal results in non-equilibrium statistical mechanics and algorithms for their use via lectures and practical coding excercises.
The study of systems out-of-equilibrium systems (e.g. open systems) is an important topic in modern physics. This course will combine lectures and practical coding exercises to enable students to learn basic concepts and numerical techniques to gain an overview on the state-of-the-art in numerical studies in this domain, ranging from weak perturbations and linear response theory to large fluctuations.
The syllabus will cover the following topics:
1. Review of linear response theory and computational methods for time-correlation functions;
2. Molecular dynamics for transient response and stationary regimes after perturbation (the D-NEMD approach);
3. Large deviations from equilibrium (work fluctuation relations)
4. Path dynamics for large fluctuations;
5. Non-equilibrium response theory.
Keywords
non-equlibrium statistical mechanics, computer simulation
Learning Prerequisites
Required courses
Statistical mechanics, Computer simulation of physical systems (or equivalent)
Understanding molecular simulations
Learning Outcomes
By the end of the course, the student must be able to:
- Understand and explain the statistical properties of systems out of equilibrium and numerical methods to describe them, complete simple coding exercises
Resources
Bibliography
Statistical mechanics and stochastic thermodynamics, D. Limmer, Oxford graduate texts.
Published papers (e.g. non-equilibrium by molecular dynamics, G. Ciccotti M. Ferrario Mol. Sim. (2016))
Jupyter notebooks with coding exercises
Ressources en bibliothèque
Références suggérées par la bibliothèque
Moodle Link
Dans les plans d'études
- Forme de l'examen: Rapport de TP (session libre)
- Matière examinée: Non-equilibrium statistical mechanics simulations
- Cours: 10 Heure(s)
- Exercices: 5 Heure(s)
- Type: optionnel