January 8, 2018 to January 19, 2018
Location : CECAM-NL


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



Van Geuns Foundation


Update: A draft program will be available via the MolSim-2018 website . The site will gradually be update with additional information.

MolSim-2018 is 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 "numerical techniques to model coarse grained systems" or "methods and theory of multiscale modeling of complex (bio)chemical systems". These will be covered with special sessions by an expert in the field.  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.

The registration is open until November 17, 2017.

Notification of admission will be before November 24, 2017.


- 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: General Biased Sampling Methods
- Wednesday: Advanced MD: Constraints, Meta-Dynamics, Multiple Time-Steps
- Thursday: Advanced MD: Rare Events Methods
- Friday: Selected Topic: Numerical Techniques for Coarse Grained Models


Financial information

The participation fee is 1300 Euro for participants from academic or related institutions.
The fee covers course materials, accommodation (you will share a room in a hostel, arrangements are made by the University of Amsterdam), meals (except for lunch and dinner in the weekend), coffee/tea during the week, welcome event, social event in the weekend, and poster session including food and drinks.
The fee for local participants is 650 Euro.