January 9, 2017 to January 20, 2017
Location : CECAM-NL


  • Evert Jan Meijer (University of Amsterdam, The Netherlands)
  • Bernd Ensing (University of Amsterdam, The Netherlands)
  • Daan Frenkel (University of Cambridge, United Kingdom)
  • Berend Smit (EPFL and University of California at Berkeley, USA)
  • Ineke Weijer (University of Amsterdam, The Netherlands)



Van Geuns Foundation

Erasmus Mundus ATOSIM


Update December 14, 2017:

Tentative program available at

MolSim-2017 is a 2-week school that offers a program focusing on numerical techniques for the study of properties of many-particle systems. It targets PhD and postdoctoral researchers who want to learn these techniques to study topics in physics, chemistry or biology. The course may also be followed by advanced MSc students. It offers a recap of the statistical mechanics relevant for molecular simulation and addresses basic and advanced simulation techniques including Monte Carlo, molecular dynamics, free energy calculations, rare events, coarse graining.
The school will have as special additional topic modeling molecular processes in nanopours materials. These will be covered with special sessions by an expert in the field (Veronique van Speybroeck, Gent University).
All techniques will be illustrated by illustrative examples of present day research.

The school consists of an integrated program of lectures and hands-on exercises. The book ``Understanding Molecular Simulation'' by Frenkel and Smit will provide the basis of the lectures. This will be supplemented by exercise handouts and copies of the lecture slides.

A poster session will provide the participants an opportunity to present their research in an informal setting.


- Sunday : Arrival
- Monday: Introduction Statistical Thermodynamics
- Tuesday: Monte Carlo: Basic Techniques
- Wednesday: Monte Carlo: Ensembles
- Thursday: Molecular Dynamics: Basic Techniques
- Thursday: Poster session
- Friday: Molecular Dynamics: Ensembles
- Weekend: Social Event
- Monday: Free Energy and Phase Equilibria
- Tuesday: Advanced MC: Gibbs Ensemble, Biased Sampling Methods, Lattice Models
- Wednesday: Advanced MD: Constraints, Multiple Time-Steps
- Thursday: Rare Events & Selected Topic: Modeling of Molecular Processes in Nanoporous Materials
- Friday: Selected Topic: Modeling of Molecular Processes in Nanoporous Materials