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

Cel

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.

Zaproszenie do składania wniosków

FP7-PEOPLE-2012-ITN
Zobacz inne projekty w ramach tego zaproszenia

Koordynator

UNIVERSITAET LEIPZIG
Adres
Ritterstrasse 26
04109 Leipzig
Niemcy
Rodzaj działalności
Higher or Secondary Education Establishments
Wkład UE
€ 87 986,14
Kontakt administracyjny
Gerhard Fuchs (Mr.)

Uczestnicy (2)

Scientific Computing & Modelling N.V.
Niderlandy
Wkład UE
€ 452 771,55
Adres
De Boelelaan 1083
1081 HV Amsterdam
Rodzaj działalności
Private for-profit entities (excluding Higher or Secondary Education Establishments)
Kontakt administracyjny
Stan Van Gisbergen (Dr.)
JACOBS UNIVERSITY BREMEN GGMBH

Zakończenie uczestnictwa

Niemcy
Wkład UE
€ 152 630,72
Adres
Campus Ring 1
28725 Bremen
Rodzaj działalności
Higher or Secondary Education Establishments
Kontakt administracyjny
Ronald Kieschnick (Mr.)