CH-420 / 4 credits

Teacher: Smit Berend

Language: English


Summary

This course introduces advanced molecular simulation techniques such as Monte Carlo and Molecular dynamics in different ensembles, free energy calculations, rare events, Configurational-bias Monte Carlo etc.

Content

Keywords

molecular simulation, molecular dynamics, Monte Carlo simulation

Learning Prerequisites

Recommended courses

knowledge on statistical thermodynamics, some basic programming skills

Assessment methods

The mark will be a: assignments given during the course (60%) and reports + oral presentation of 2 blocks (40%)

Resources

Bibliography

D. Frenkel and B. Smit, Understanding Molecular Simulations: from Algorithms to Applications, 2nd ed. (Academic Press, San Diego, 2002)

 

Ressources en bibliothèque

In the programs

  • Semester: Spring
  • Exam form: During the semester (summer session)
  • Subject examined: Understanding advanced molecular simulation
  • Lecture: 2 Hour(s) per week x 14 weeks
  • Project: 1 Hour(s) per week x 14 weeks
  • Semester: Spring
  • Exam form: During the semester (summer session)
  • Subject examined: Understanding advanced molecular simulation
  • Lecture: 2 Hour(s) per week x 14 weeks
  • Project: 1 Hour(s) per week x 14 weeks
  • Semester: Spring
  • Exam form: During the semester (summer session)
  • Subject examined: Understanding advanced molecular simulation
  • Lecture: 2 Hour(s) per week x 14 weeks
  • Project: 1 Hour(s) per week x 14 weeks
  • Semester: Spring
  • Exam form: During the semester (summer session)
  • Subject examined: Understanding advanced molecular simulation
  • Lecture: 2 Hour(s) per week x 14 weeks
  • Project: 1 Hour(s) per week x 14 weeks

Reference week

 MoTuWeThFr
8-9     
9-10     
10-11     
11-12     
12-13     
13-14     
14-15     
15-16     
16-17     
17-18     
18-19     
19-20     
20-21     
21-22