Algorithms for Condensed Matter and Materials Science


Keywords: numerical methods, materials science, simulation

Start Date: 15 September 92 / Status: finished / Duration: 30 months

[ participants / contact]

Objectivies and Approach

The ultimate goal of research in this area is to calculate material properties for complicated compounds for which there is a technological interest, particularly semiconductors and metals. In this project, research will focus on computer simulations based on existing computer codes or on new ones which will be developed during the proposed collaboration. In particular, existing computer codes will be made more efficient by sharing computer algorithms.

Existing collaborations with US research groups will be strengthened through workshops, where a wide exchange of expertise and progress reports in the topics of our interests will take place. In addition, European partners will be able to make use of super computer facilities that are offered by the US partners.

European links: The European participants are partners in ESPRIT project Si/Ge MIST (7128), Ultra thin Silicon/Germanium Microstructures).

Progress and Results

This project has made cooperative research activities associated with computer simulations concentrated on two categories of materials of technological interest, namely semiconductors and metals.

From a scientific point of view, new computer codes have been developed that allow molecular dynamics simulations on large clusters of transition metals atoms being either free or embedded into crystals.

New collaborations have been established within the present scheme, and the results of the work have been disseminated at various conferences worldwide, as well as workshops organised by the consortium itself.


P.O. Box 1527
GR - 71110 Heraklion, GR

EU Partners

University of Linz, A
Technical University, Munich, D
Daimler-Benz, Ulm, D
Aristotelean University of Tessaloniki, GR
University of Lund, S
University of Newcastle, UK

Non-EU Partners

University of Kentucky, USA


Dr. Antonis N. Andriotis
Tel: +30 81 239 757
Fax: +30 81 239 735
E-mail: andriotis@grcrvax1.bitnet

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