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
In the programs
- Semester: Fall
- Exam form: Oral (winter session)
- Subject examined: Computer simulation of physical systems I
- Lecture: 2 Hour(s) per week x 14 weeks
- Exercises: 2 Hour(s) per week x 14 weeks
- Semester: Fall
- Exam form: Oral (winter session)
- Subject examined: Computer simulation of physical systems I
- Lecture: 2 Hour(s) per week x 14 weeks
- Exercises: 2 Hour(s) per week x 14 weeks
- Semester: Fall
- Exam form: Oral (winter session)
- Subject examined: Computer simulation of physical systems I
- Lecture: 2 Hour(s) per week x 14 weeks
- Exercises: 2 Hour(s) per week x 14 weeks
- Semester: Fall
- Exam form: Oral (winter session)
- Subject examined: Computer simulation of physical systems I
- Lecture: 2 Hour(s) per week x 14 weeks
- Exercises: 2 Hour(s) per week x 14 weeks
- Semester: Fall
- Exam form: Oral (winter session)
- Subject examined: Computer simulation of physical systems I
- Lecture: 2 Hour(s) per week x 14 weeks
- Exercises: 2 Hour(s) per week x 14 weeks
- Semester: Fall
- Exam form: Oral (winter session)
- Subject examined: Computer simulation of physical systems I
- Lecture: 2 Hour(s) per week x 14 weeks
- Exercises: 2 Hour(s) per week x 14 weeks
- Semester: Fall
- Exam form: Oral (winter session)
- Subject examined: Computer simulation of physical systems I
- Lecture: 2 Hour(s) per week x 14 weeks
- Exercises: 2 Hour(s) per week x 14 weeks
- Semester: Fall
- Exam form: Oral (winter session)
- Subject examined: Computer simulation of physical systems I
- Lecture: 2 Hour(s) per week x 14 weeks
- Exercises: 2 Hour(s) per week x 14 weeks