Organisers - Manuel Athènes (SRMP, CEA/Saclay )
- Daan Frenkel (FOM Institute Amsterdam)
- Thijs J.H. Vlugt (Delft University of Technology, Process & Energy Laboratory)
- Britta Duiker (UvA (Local Organization))
- Sofia Calero (Universidad Pablo de Olavide)
- Edith Beerdsen (University of Amsterdam)
- Berend Smit (Department of Chemical Engineering and Department of Chemistry University of California, Berkeley)
Supports CECAM
 Marie Curie - MolSimu
DescriptionThis course is aimed to give an introduction in the basic molecular simulation techniques: molecular dynamics and Monte Carlo. The idea is to give an understanding of principles underlying these techniques and to use this understanding to optimize a simulation code.
The more advanced topics include molecular simulations in the various ensembles (NVE, NVT, NPT, grand canonical, etc), free energy computations, phase equilibria, rare events, configurational-bias Monte Carlo.
The morning sessions are lectures introducing the methods and in the afternoons there are computer exercises in which these methods are applied.
The course does not assume any previous knowledge in molecular simulations. However, elementary knowledge in thermodynamics and statistical thermodynamics is assumed.
Course Material (will be provides by the organizers)
Understanding Molecular Simulations – Frenkel and Smit (Academic Press, 2002)
The participation fee is 200 Euro. Support for participation (travel and lodging) is available via the Marie Curie Action “Molsimu”.
Interested in participation: follow the instructions after clicking on "register" in the box above.
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