Computer simulation of physical systems I
Summary
The two main topics covered by this course are classical molecular dynamics and the Monte Carlo method.
Content
Ordinary differential equations: methods for numerical integration: multistep algorithms and implicit algorithms.
Classical molecular dynamics: Verlet algorithm, predictor-corrector algorithms, determination of macroscopic parameters, Nosé-Hoover thermostat, constraints, Ewald summations, application to Lennard-Jones liquids.
Random variables: definitions and properties, generators and distribution functions, central-limit theorem.
Random walks: binomial and Gaussian distributions, particle diffusion, Brownian motion.
Monte Carlo integration: direct sampling, importance sampling, Metropolis algorithm, errors in correlated sampling, Monte-Carlo simulations of Lennard-Jones liquids and of two-dimensional spin systems.
Learning Prerequisites
Recommended courses
Statistical physics
Learning Outcomes
By the end of the course, the student must be able to:
- Model a physical problem by a computer simulation
- Interpret experimental properties using a computer program
- Carry out computer simulations
- Synthesize results in the form of a scientific report
Assessment methods
Report + oral exam = 1 grade
Resources
Virtual desktop infrastructure (VDI)
Yes
Ressources en bibliothèque
- Computational physics : an introduction / F.J. Vesely
- Computational physics / S. E. Koonin
- Computational physics / J. M. Thijssen
Websites
Moodle Link
Dans les plans d'études
- Semestre: Automne
- Forme de l'examen: Oral (session d'hiver)
- Matière examinée: Computer simulation of physical systems I
- Cours: 2 Heure(s) hebdo x 14 semaines
- Exercices: 2 Heure(s) hebdo x 14 semaines
- Semestre: Automne
- Forme de l'examen: Oral (session d'hiver)
- Matière examinée: Computer simulation of physical systems I
- Cours: 2 Heure(s) hebdo x 14 semaines
- Exercices: 2 Heure(s) hebdo x 14 semaines
- Semestre: Automne
- Forme de l'examen: Oral (session d'hiver)
- Matière examinée: Computer simulation of physical systems I
- Cours: 2 Heure(s) hebdo x 14 semaines
- Exercices: 2 Heure(s) hebdo x 14 semaines
- Semestre: Automne
- Forme de l'examen: Oral (session d'hiver)
- Matière examinée: Computer simulation of physical systems I
- Cours: 2 Heure(s) hebdo x 14 semaines
- Exercices: 2 Heure(s) hebdo x 14 semaines
- Semestre: Automne
- Forme de l'examen: Oral (session d'hiver)
- Matière examinée: Computer simulation of physical systems I
- Cours: 2 Heure(s) hebdo x 14 semaines
- Exercices: 2 Heure(s) hebdo x 14 semaines
- Semestre: Automne
- Forme de l'examen: Oral (session d'hiver)
- Matière examinée: Computer simulation of physical systems I
- Cours: 2 Heure(s) hebdo x 14 semaines
- Exercices: 2 Heure(s) hebdo x 14 semaines
- Semestre: Automne
- Forme de l'examen: Oral (session d'hiver)
- Matière examinée: Computer simulation of physical systems I
- Cours: 2 Heure(s) hebdo x 14 semaines
- Exercices: 2 Heure(s) hebdo x 14 semaines
- Semestre: Automne
- Forme de l'examen: Oral (session d'hiver)
- Matière examinée: Computer simulation of physical systems I
- Cours: 2 Heure(s) hebdo x 14 semaines
- Exercices: 2 Heure(s) hebdo x 14 semaines
Semaine de référence
| Lu | Ma | Me | Je | Ve | |
| 8-9 | |||||
| 9-10 | |||||
| 10-11 | |||||
| 11-12 | |||||
| 12-13 | |||||
| 13-14 | |||||
| 14-15 | |||||
| 15-16 | |||||
| 16-17 | |||||
| 17-18 | |||||
| 18-19 | |||||
| 19-20 | |||||
| 20-21 | |||||
| 21-22 |
Légendes:
Cours
Exercice, TP
Projet, autre