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CCL 09.02.10 1st CP2K tutorial, CECAM @ ETH-Zurich, Switzerland |
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From: chemistry-request at ccl.net To: chemistry-request at ccl.net Date: Fri Nov 14 02:54:06 2008 Subject: 09.02.10 1st CP2K tutorial, CECAM ]|[ ETH-Zurich, Switzerland ANNOUNCEMENT 1st CP2K CECAM TUTORIAL
ETH - Zurich (Switzerland), February 10-13, 2009
http://www.cecam.org/workshop-273.html
The 1st CP2K tutorial aims to introduce researchers in the field of
molecular simulations to the broad collection of computational tools
implemented within the CP2K program package, and to encourage modular,
flexible, and problem oriented thinking while using them.
We specifically plan to cover the use of different levels of theory:
ab-initio DFT, classical Hamiltonians, semi-empirical NDDO and hybrid
QM/MM simulations. In a second step, we then intend to demonstrate
how to apply those levels of theory to several methods - provided by
CP2K- for exploring potential and free energy surfaces, to characterize
molecular reactions or physical phenomena. In particular: molecular
dynamics, band methods, ionic relaxation methods, vibrational analysis,
meta-dynamics, and alchemical free energy calculations.
Although brief introductions will be provided, both for the different
levels of theory and for the explorative tools, emphasis will be placed
on their practical usage and the relevant implementation details in CP2K.
Therefore, this first tutorial deliberately targets researchers with
experience in fields where the presented techniques are well established,
and who already possess a strong background in computational chemistry or
physics.
Ideally the participating researchers would then teach less experienced
people in their respective delegating groups. The number of participants
is restricted to a maximum of 20 attendees.
Selection will be performed on the basis of the personal curriculum.
A working knowledge of UNIX/Linux systems is mandatory. A good reference
point for the participants' background is the content of the CECAM School
MolSim2009.
There is no participation fee and partial support will be available for
selected attendees (more details regarding the financial support will
follow upon reviews of our selected sponsors).
DEADLINE FOR SUBSCRIPTION IS JANUARY 12, 2009
Applications, complete of a motivation letter and a short CV, can be
submitted through the CECAM website:
http://www.cecam.org/workshop-273.html
A forum has been opened at the URL:
http://groups.google.com/group/cp2k_tutorial, in order to
facilitate the exchange of information and the sharing of experiences
during and after the tutorial.
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