CECAM - Understanding Molecular SimulationsUnderstanding Molecular Simulations

Important information for travel reimbursement Please send origninal travel documents (tickets, boardingpasses) to Ineke Weijer, HIMS, Universiteit van Amsterdam, Nieuwe Achtergracht 166, 1018 WV AMSTERDAM, The Netherlands Programme A schedule of the course can be found <a href=http://molsim.chem.uva.nl/frenkel_smit/teaching.html> here</a>. This 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 provided 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. Information about lodging and the programme can be found in the file repository, (click in the navigation bar). Most participants will be lodging at the <a href=http://www.hotelarena.nl> Hotel Arena</a> Location of the Tutorial can be found <a href=http://www.english.uva.nl/locations/map_east.cfm >here </a> (location 16, Building A and location 12, Building Euclides)

Understanding Molecular Simulations

University of Amsterdam Amsterdam The Netherlands

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