Wspólnotowy Serwis Informacyjny Badan i Rozwoju - CORDIS

Final Activity Report Summary - PSI-K TRAINING (Psi-k Training in Computational Nanoscience)

Computational electronic-structure of condensed matter is concerned with the ideas, algorithms and software needed to solve the Schrödinger equation for interacting electrons in condensed matter. This field has seen an exponential explosion in its relevance and impact; as of April 2010, the 10 most cited papers in the entire history of the journals of the American Physical Society are all dealing with computational electronic-structure condensed matter.

To put such statement in perspective, all other key papers in physics, such as the Bardeen-Cooper-Schrieffer theory of superconductivity, Weinberg's model of leptons, or the invention of the AFM, rank lower. The relevance and impact of this field comes from its predictive power - we can now solve the full quantum mechanical problem of electrons and ions in order to understand structure, properties, dynamics, excitations, and spectroscopies of novel or complex materials and devices. This accuracy and predictive power, together with the availability of truly inexpensive computer power and ever more effective algorithms, have in the few last years led to the screening and design of materials and devices directly out of quantum simulations, before making it to the lab or the market.

This importance is testified nowadays not only by the enormous impact (the citation indicators alluded to above) but by the fact that every industrial R&D lab in the high-tech/materials/chemical industries has a group on electronic-structure modelling of materials. This community, which calls themselves Psi-k, has grown at breath-taking speed. At the last Psi-k conference held in Sep 2010 it had more than 1000 participants, and is now recognized far and beyond as the top meeting in this field in the world. Psi-k, by the way, is a UK registered charity. Psi-k is very concerned with providing an adequate training programme for its young researchers. The Psi-k training programme was created with this in mind. It is based on 3 activities which reflect the progression of a graduate student over period of 3 years. Starting with graduate schools to bring the students up to speed, moving on to hands-on tutorials and finishing with summer schools.

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United Kingdom
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