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Up Directory CCL 12.05.07 CPMD Tutorial, CECAM HQ, Lausanne May 7-9, 2012
From: chemistry-request at
To: chemistry-request at
Date: Thu Feb 2 05:41:02 2012
Subject: 12.05.07 CPMD Tutorial, CECAM HQ, Lausanne May 7-9, 2012
EPFL- Lausanne (Switzerland), May 07-09, 2012

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 (see

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. 


Applications, complete of a motivation letter and a short CV, should
be submitted through the CECAM website:
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