More advanced topics of this school 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 school does not assume any previous knowledge in molecular simulations. However, elementary knowledge in thermodynamics and statistical thermodynamics is assumed.
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Format |
MolSim is a 2-week school in the field of molecular simulation covering basic and advanced Monte Carlo and molecular dynamics techniques. The morning sessions are lectures introducing the methods and in the afternoons there are computer exercises in which these methods are applied. |
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Audience |
The course integrates lectures and hands-on exercises and targets starting PhD students in the field, but also Postdoc and other researchers can attend. |
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When? |
Organized every year in January. PhD students will register via CECAM |
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Credit Points: |
3 ECTS |