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Psi-k2000 Conference on "Ab Initio (from Electronic Structure) Calculations of Complex Processes in Materials"


The purpose is to organise a large scientific conference with about 400 participants originating mostly from EU and associated Member countries, however, attended also by scientists from other countries. The research topic of the conference covers all aspects of "AB initio"(from electronic structure) calculations of complex processes in materials". The overall uniting methodology is Density Functional Theory whose successes spread from physics into interdisciplinary areas of materials science, chemistry and earth sciences. Much of the important behaviour of materials involves processes at the atomic level, where the atomic structure or movement of atoms is crucial. The computer simulation of such processes is not new. What is new is a proper account of the bonding between atoms and magnetic; state in the atoms. This is achieved through solving the quantum mechanical Schrödinger equation for the whole system. This daunting task has become possible to a useful accuracy through the growth of computer power coupled to very sophisticated theoretical and computational developments.

The subject has seen a very rapid expansion in recent years both in the development of the techniques and in their ever widening range of applications. The most important aspect of this project is to bring together "the whole family" of the European researchers in the electronic structure field, and help them to do high quality work through interaction with others, and to achieve recognition through presenting their work publicly, from which especially young scientists would benefit. Achieving that high quality research depends on knowing about the latest advances made elsewhere, especially in such a rapidly developing field. The field has progressed since the last conference and there is a growing need for another conference of this kind, for such an intense scientific exchange of results and ideas.

Funding Scheme

ACM - Preparatory, accompanying and support measures


Type of Event: Large Conference
This Event Takes Place In Schwäbisch Gmünd