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Molecular Dynamics Simulation Tools

Objectif

Trinity College Dublin has world-class research scientists working the in fields of experimental and theoretical nano-sciences (nano-phyiscs) and experimental life sciences (including bio molecular modelling, protein folding, compound screening and drug discovery/delivery systems). The University is recognised for its strong research capabilities in the areas of high performance computing and algorithm design in the physical and biological sciences. Terascale computating with storage facilities, and immersive visualisation facilities will be an integral part of the consolidation of the computational scientists in the new Information Technology and Advanced Computing programme in Trinity.

Trinity has identified a gap in the multidisciplinary competencies of the University between these two exciting areas of research. The objective of this proposal is to strengthen the bridge between these two competencies and to provide new validated molecular dynamics simulation tools to enhance the research capabilities of the bioscience and nanoscience groups. This objective will be achieved by transferring the experience of experts to assist in identifying the needs of these scientists and working with local researchers to customise existing molecular dynamics packages t o meet their requirements.

The work will lead to faster, more efficient MD calculations in the Nano/Life sciences. The close interaction in Trinity between the bio/nanoscientist and computational science groups is somewhat unique in Europe. This program me will offer the external researchers access to real data in order to validate software tools. Visiting researchers will be invited to participate in the postgraduate teaching programme and to get involved in the variety of outreach activities organised by the University on a yearly basis.

Appel à propositions

FP6-2002-MOBILITY-3
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Coordinateur

THE PROVOST FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN
Contribution de l’UE
Aucune donnée
Adresse
College Green
DUBLIN
Irlande

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