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2008 Workshops 

Understanding Molecular Simulations

January 7, 2008 to January 18, 2008

Location : University of Amsterdam Amsterdam The Netherlands

 Details
 Participants
 Posters
 

Organisers

  • Berend Smit (Department of Chemical Engineering and Department of Chemistry University of California, Berkeley)
  • Daan Frenkel (FOM Institute Amsterdam)
  • Evert Jan Meijer (University of Amsterdam)
  • Bernd Ensing (University of Amsterdam)
  • Jutta Rogal (University of Amsterdam)
  • Huisman Bastiaan (University of Amsterdam)
  • Francesco Colonna (University of Amsterdam (HIMS))
  • Elske Leenders (UvA)
  • Maarten Wolf (TuDelft)
  • Patrick Charbonneau (AMOLF)
  • Jacobus van Meel (FOM institute AMOLF)
  • Luca Ghiringhelli (Max Planck Institute for Polymer Research)
  • Peter Bolhuis (University of Amsterdam)

Supports

 CECAM

Marie Curie - Molsimu

Universitetit van Amsterdam

Description

<br>
<b> Important information for travel reimbursement</b>
<br>
Please send origninal travel documents (tickets, boardingpasses) to Ineke Weijer,<br> HIMS,<br> Universiteit van Amsterdam,<br> Nieuwe Achtergracht 166,<br> 1018 WV AMSTERDAM,<br> The Netherlands
<br>
<br>



<b> Programme</b>
<br>
<p>
A schedule of the course can be found
<a href=http://molsim.chem.uva.nl/frenkel_smit/teaching.html> here</a>.
<br>
<p>

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.<p>
<b>Course Material</b> (will be provided by the organizers):
"Understanding Molecular Simulations" – Frenkel and Smit (Academic Press, 2002).<p>
The <b>participation fee </b> is 200 Euro. Support for participation (travel and lodging) is available via the Marie Curie Action “Molsimu”.<p>
<b>Information about lodging and the programme </b>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><br>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)


CECAM - Centre Européen de Calcul Atomique et Moléculaire
Station 13, Bat. PPH, 1015 Lausanne, Switzerland