PROPAGATE

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

 Coordinatore 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

 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


 Word cloud

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group    mc    photo    nanotechnology    industry    jacobsuni    first    principles    scm    excited    dynamics    mechanics    biophysics    simulations   

 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.'

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