Computer simulation of physical systems I

PHYS-403 / 4 credits

Teacher: Pasquarello Alfredo

Language: English

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

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
  • Type: optional
  • 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
  • Type: optional
  • 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
  • Type: optional
  • 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
  • Type: optional
  • 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
  • Type: optional
  • 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
  • Type: optional
  • 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
  • Type: optional
  • 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
  • Type: optional

Reference week

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