CPMD: Car-Parrinello Molecular Dynamics
Thursday, April 14th, 2011
Richard J. Renaud Science Complex, Loyola Campus, Concordia University
7141 Sherbrooke Street West, Montreal, Quebec, Canada

This one-day, hands-on workshop will initiate participants to ab initio molecular dynamics (AIMD) simulations using the Car-Parinello method. This method, which employs pseudopotentials and a plane-wave basis set (see http://cpmd.org/ for more information), greatly reduces the simulation times for large systems where AIMD would normally be prohibited.

The workshop is primarily targeted to students or investigators who are interested in using Car-Parinello molecular dynamics in their research work but do not have the expertise with it yet.

Workshop Leader/Lecturer:
Prof. Radu Iftimie (Université de Montréal)

Vibin Thomas (Université de Montréal)
Xijun Wang (Concordia University)

Thursday, April 14th
13:00 - 14:30: LECTURE - Theory behind CPMD and practical aspects
15:00 - 15:30: Break
15:30 - 17:30: TUTORIAL - CPMD and the VMD visualisation tool
17:30 - 19:30: Reception