Objectif Modern material science aims at understanding the properties of (bio)materials at the molecular level. In this development, molecular simulation will play an important role in both the interpretation of the experimental data as well as to guide the experim ental efforts. Key aspects in the present proposal is that we plan to achieve this goal by a hierarchical approach, which relies on an intelligent and controlled way of combining advanced simulation techniques to bridge the time and length scales between t he molecular behaviour and the macroscopic properties. To demonstrate the interdisciplinary character of this approach we plan to apply this approach to two different applications related to molecular system biology and molecular materials science. Within the framework of system biology we aim to obtain fundamental insight in the collective behaviour of peptides embedded in a biological membrane and in material science we will investigate the effect of confinement on diffusion and catalytic properties. The field of molecular simulations is one of the scientific areas in which Europe has a leading position. European research teams are internationally recognized for the development and application of novel algorithms. One of the factors contributing to this Eu ropean success is the unique position of CECAM (European Centre of Atomic and Molecular Computations). CECAM is a top-level institute based in Lyon that is supported by 14 European organizations and is aimed at networking activities (workshops and tutorial s). The present proposal takes advantage of this unique position and the support will be used to create a European Research Centre of Excellence that will be located at CECAM in collaboration with the universities in the Lyon region. The present proposal a llows the present director of CECAM to create such a centre. The networking activities at CECAM give this centre a truly European dimension and an excellent international exposure. Champ scientifique natural sciencesbiological sciencesbiochemistrybiomoleculesproteinsproteomicsnatural scienceschemical sciencesinorganic chemistryinorganic compoundsnatural sciencesbiological sciencesbiochemistrybiomoleculeslipidsnatural scienceschemical sciencescatalysisnatural sciencesbiological sciencesbiochemistrybiomoleculesproteinsenzymes Mots‑clés Molecular dynamics Monte Carlo simulations biological membranes zeolites Programme(s) FP6-MOBILITY - Human resources and Mobility in the specific programme for research, technological development and demonstration "Structuring the European Research Area" under the Sixth Framework Programme 2002-2006 Thème(s) MOBILITY-3.1 - Marie Curie Excellence Grants (EXT) Appel à propositions FP6-2004-MOBILITY-8 Voir d’autres projets de cet appel Régime de financement SCF - Marie Curie actions-Series of events Coordinateur ECOLE NORMALE SUPÉRIEURE DE LYON Contribution de l’UE Aucune donnée Adresse 46, Allée d'Italie' LYON France Voir sur la carte Liens Site web Opens in new window Coût total Aucune donnée