PROPAGATE

New Propagation Techniques for the simulation of dynamical processes in extended systems

Coordinatore	JACOBS UNIVERSITY BREMEN GGMBH    more  Organization address address: Campus Ring 1 city: BREMEN postcode: 28759 contact info Titolo: Mr. Nome: Ronald Cognome: Kieschnick Email: send email Telefono: +49 421 2004515
Nazionalità Coordinatore	Germany [DE]
Totale costo	693˙388 €
EC contributo	693˙388 €
Programma	FP7-PEOPLE Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)
Code Call	FP7-PEOPLE-2012-ITN
Funding Scheme	MC-ITN
Anno di inizio	2012
Periodo (anno-mese-giorno)	2012-11-01   -   2016-10-31

 Partecipanti

#	participant	country	role	EC contrib. [€]
1	JACOBS UNIVERSITY BREMEN GGMBH  Organization address address: Campus Ring 1 city: BREMEN postcode: 28759 contact info Titolo: Mr. Nome: Ronald Cognome: Kieschnick Email: send email Telefono: +49 421 2004515	DE (BREMEN)	coordinator	334˙228.62
2	Scientific Computing & Modelling N.V.  Organization address address: De Boelelaan 1083 city: Amsterdam postcode: 1081 HV contact info Titolo: Dr. Nome: Stan Cognome: Van Gisbergen Email: send email Telefono: +31 20 5987626	NL (Amsterdam)	participant	359˙159.79

Mappa

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 Obiettivo del progetto (Objective)

'A leading European scientific software company (SCM), a research group of a private university (JacobsUni) and an associated research group with long-term history in collaborating with the industry partner (VU Amsterdam), want to collaborate in the development of advanced methods for first principles atomistic computer simulations and their application on environmentally important topics of nanotechnology and biophysics. Three ESR will develop methods allowing efficient first-principles molecular dynamics studies of the ground state, of thermally excited as well as of photo-excited states, and extended simulations using hybrid methods combining quantum mechanics with classical mechanics. The methods will be used for two applications in the fields of nanotechnology and biophysics, namely to study the high-temperature formation, solubility of mixed metal oxide heteroparticles that are interesting materials for the photoelectrolytic water splitting, the dynamics of the photo-excited states in these systems, and to investigate the signal transduction in light-sensitive proteins. The fellows will be trained in technical, industry, academic and transferable skills, all of them necessary for this intersectoral and supra-disciplinary project. PROPAGATE will be supported by an ongoing MC-IAPP scheme between JacobsUni and SCM and by a starting MC-IRSES project coordinated by JacobsUni.'