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

Informations projet

PROPAGATE

N° de convention de subvention: 316897

Projet clôturé

Date de début 1 Novembre 2012

Date de fin 31 Octobre 2016

Financé au titre de

• Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)

Coût total € 693 388,41

Contribution de l’UE € 693 388,41

Coordonné par

UNIVERSITAET LEIPZIG
Germany

Objectif

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.

Champ scientifique (EuroSciVoc)

CORDIS classe les projets avec EuroSciVoc, une taxonomie multilingue des domaines scientifiques, grâce à un processus semi-automatique basé sur des techniques TLN. Voir: https://op.europa.eu/en/web/eu-vocabularies/euroscivoc.

• sciences naturelles › sciences physiques › physique quantique
• sciences naturelles › sciences biologiques › biophysique
• sciences naturelles › sciences physiques › mécanique classique

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Programme(s)

• FP7-PEOPLE - Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)

Thème(s)

• FP7-PEOPLE-2012-ITN - Marie-Curie Action: "Initial Training Networks"

Appel à propositions

FP7-PEOPLE-2012-ITN
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Régime de financement

MC-ITN - Networks for Initial Training (ITN)

Coordinateur

UNIVERSITAET LEIPZIG

• Contribution de l’UE: € 87 986,14
• Adresse: RITTERSTRASSE 26 ; 04109 Leipzig ; Allemagne
• Région: Sachsen › Leipzig › Leipzig
• Type d’activité: Higher or Secondary Education Establishments
• Coût total: Aucune donnée

Participants (2)

SOFTWARE FOR CHEMISTRY & MATERIALS BV

Pays-Bas

• Contribution de l’UE: € 452 771,55
• Adresse: DE BOELELAAN 1083 ; 1081 HV Amsterdam
• Type d’activité: Private for-profit entities (excluding Higher or Secondary Education Establishments)
• Coût total: Aucune donnée

CONSTRUCTOR UNIVERSITY BREMEN GGMBH

Participation terminée

Allemagne

• Contribution de l’UE: € 152 630,72
• Adresse: CAMPUS RING 1 ; 28725 Bremen
• Région: Bremen › Bremen › Bremen, Kreisfreie Stadt
• Type d’activité: Higher or Secondary Education Establishments
• Coût total: Aucune donnée