Coursebooks 2017-2018

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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

Reference week

 MoTuWeThFr
8-9     
9-10     
10-11 CM1106   
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