!gedpublicreports PDF
Uploaded by
waleed mosalam!gedpublicreports PDF
Uploaded by
waleed mosalam2018-2019 COURSE BOOKLET
PHYS-403 Computer simulation of physical systems I
Pasquarello Alfredo
Cursus Sem. Type
Language English
Ing.-phys MA1, MA3 Opt. Credits 4
Mineur STAS Russie H Opt. Session Winter
Semester Fall
Physicien MA1, MA3 Opt.
Exam Oral
Science et ing. computationelles MA1, MA3 Opt. Workload 120h
Weeks 14
Hours 4 weekly
Lecture 2 weekly
Exercises 2 weekly
Number of
positions
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
Computer simulation of physical systems I Page 1 / 2
2018-2019 COURSE BOOKLET
Ressources en bibliothèque
• Computational physics : an introduction / F.J. Vesely
• Computational physics / S. E. Koonin
• Computational physics / J. M. Thijssen
Websites
• http://moodle.epfl.ch/course/view.php?id=3711
