On August 27–29, , a 3-day CP2K user tutorial with the topic “Computational Spectroscopy” will be held at the Paderborn Center for Parallel Computing. The goal of the CP2K tutorial is to provide to researchers and students in the field of molecular simulations a survey of the most relevant computational tools. 1st CP2K Tutorial: Enabling the Power of Imagination in MD Simulations. CP2K is a suite of modules, collecting a variety of molecular simulation methods .

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New account Lost your password? The status of each application will be communicated by January 11th February 7, to February 11, Although brief introductions will be provided, both for the different levels of theory and cpp2k the explorative tools, emphasis will tutoriial placed on their practical usage and the relevant implementation details in CP2K. This tutorial is not going to propose lectures on basic theory, but rather to focus on methodologies available in cp2k.

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New account Lost your password? Council Board of directors SAC. The workshop and the Sunday evening reception will be held in building O in room O1. Participation in the tutorial is free of charge. Indeed, this program package is mainly thought for large scale ab-initio simulations of condensed matter. Participants will work with their own notebooks, so bringing a tuforial to the tutorial is mandatory. Matthias Krack, Paul Scherrer Institute New account Lost your password?

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Apply for Node Status. Other Activities Berni J. An forum has been opened at the URL: The address of the building is Pohlweg 51, Paderborn. Production applications will be sometime mentioned to give a flavor of the successful research achievements. How to Submit tuutorial Proposal. February 9, to February 13, All these methodologies are currently receiving significant attention by computational scientists, thus finding potential users in academics as well as industry.

Council Board of directors SAC.

PC2 – CP2K Tutorial (Universität Paderborn)

Sie haben Javascript deaktiviert! Marcella Iannuzzi, University of Zurich Hence, recurring topics in the tutorial are the scaling of algorithms, the combination of different levels of theory and of sampling, and tools and strategies for the analysis of results.

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Registered User Area Login: Registered User Area Login: 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. All these methodologies are currently receiving significant attention by computational scientists, thus finding potential users in academics as well as industry.

Selection will be performed on the basis of the personal curriculum. Registered User Area Login: It is used routinely for predicting energies, molecular structures, vibrational frequencies of molecular systems, reaction mechanisms, and ideally suited for performing molecular dynamics studies.

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Location The workshop and the Sunday evening reception will be held in building O in room O1. The most standard methods as well as some of the more advanced features will introduced by overviews of background theory and through examples of application, always highlighting the peculiarities related to the specific implementation in this code.

The 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. Data Center Building O.

CP2K User Tutorial: “Computational Spectroscopy”

CP2K is a suite of modules, comprising a variety of molecular simulation methods at different levels of accuracy, ranging from ab-initio DFT, to semi-empirical NDDO approximation, to classical Hamiltonians. How to Submit a Proposal. Topics covered within these three days include:

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