|CCL 09.02.10 1st CP2K tutorial, CECAM @ ETH-Zurich, Switzerland|
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.NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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