CPMD Tutorial 2012
CPMD Tutorial at CECAM
May 07, 2012 08:00 AM
May 09, 2012 06:00 PM
|Where||CECAM HQ, Lausanne|
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The CPMD tutorial aims at giving an overview of the basic methods of first-principle molecular dynamics by using plane waves, as in the original CPMD implementation together with a flavor of a few advanced topics, properties calculations, reactive processes, QM/MM methods. The morning sessions are lectures introducing the methods and in the afternoons there are computer exercises in which these methods will be applied.
The course does not assume any previous knowledge in molecular simulations. However, elementary knowledge in quantum and statistical physics is assumed.
This tutorial will cover most of the aspects of the Car-Parrinello method: Density Functional Theory, plane waves techniques, parallelization, Molecular Dynamics simulations, properties calculation. It will also aim at familiarizing the participants with the current implementation of the Car-Parrinello Molecular Dynamics (CPMD) code.
The use of excited states in CPMD will be treated during the morning of May 10th, 2012 with a joint lecture with the CECAM tutorial "Nonadiabatic quantum dynamics with MCTDH and CPMD" in Lausanne, May 10-12, 2012. People interested in TD-DFT and nonadibatic MD, with no knowledge in the CPMD code, are encouraged to apply to both tutorials.
The number of participants is restricted to a maximum of 25 attendees. Selection will be performed on the basis of the personal curriculum. Working knowledge of UNIX/Linux systems is mandatory.
The tutorial is organized and financed by CECAM. There is no participation fee. Accommodation and daily allowance are provided to all participants.
DEADLINE FOR SUBSCRIPTION IS MARCH 12th, 2012.
Applications, complete of a motivation letter and a short CV, should be submitted through the CECAM website: http://www.cecam.org/workshop-657.html.