Coursebooks

Computer simulation of physical systems I

PHYS-403

Lecturer(s) :

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:

Assessment methods

Report + oral exam = 1 grade

Resources

Virtual desktop infrastructure (VDI)

Yes

Ressources en bibliothèque
Websites

In the programs

  • Physics - master program, 2019-2020, Master semester 1
    • Semester
      Fall
    • Exam form
      Oral
    • Credits
      4
    • 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
  • Physics - master program, 2019-2020, Master semester 3
    • Semester
      Fall
    • Exam form
      Oral
    • Credits
      4
    • 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
  • Applied Physics, 2019-2020, Master semester 1
    • Semester
      Fall
    • Exam form
      Oral
    • Credits
      4
    • 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
  • Applied Physics, 2019-2020, Master semester 3
    • Semester
      Fall
    • Exam form
      Oral
    • Credits
      4
    • 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
  • Computational science and Engineering, 2019-2020, Master semester 1
    • Semester
      Fall
    • Exam form
      Oral
    • Credits
      4
    • 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
  • Computational science and Engineering, 2019-2020, Master semester 3
    • Semester
      Fall
    • Exam form
      Oral
    • Credits
      4
    • 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
  • Mineur STAS Russie, 2019-2020, Autumn semester
    • Semester
      Fall
    • Exam form
      Oral
    • Credits
      4
    • 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

Reference week

MoTuWeThFr
8-9
9-10
10-11 CM011
11-12
12-13
13-14
14-15
15-16 CM012
CO023
16-17
17-18
18-19
19-20
20-21
21-22
Lecture
Exercise, TP
Project, other

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  • Autumn semester
  • Winter sessions
  • Spring semester
  • Summer sessions
  • Lecture in French
  • Lecture in English
  • Lecture in German