HPCAMO

A new computational framework for molecular dynamics

Coordinatore	DUBLIN CITY UNIVERSITY    more  Organization address address: Glasnevin city: DUBLIN postcode: 9 contact info Titolo: Dr. Nome: Nikolopoulos Cognome: Lampros Email: send email Telefono: -7004948
Nazionalità Coordinatore	Ireland [IE]
Totale costo	45˙000 €
EC contributo	45˙000 €
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-2009-RG
Funding Scheme	MC-ERG
Anno di inizio	2010
Periodo (anno-mese-giorno)	2010-05-01   -   2013-04-30

 Partecipanti

#	participant	country	role	EC contrib. [€]
1	DUBLIN CITY UNIVERSITY  Organization address address: Glasnevin city: DUBLIN postcode: 9 contact info Titolo: Dr. Nome: Nikolopoulos Cognome: Lampros Email: send email Telefono: -7004948	IE (DUBLIN)	coordinator	45˙000.00

Mappa

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 Obiettivo del progetto (Objective)

'We propose a project in the research field of the interaction of electromagnetic (EM) fields with complex atomic systems. Current and ongoing developments on sources of EM coherent radiation with super-intense peak power and/or ultra-short duration (of attosecond scale = 10-18 sec) at frequencies from the far infrared (fraction of eV) to hard X-rays (keV) makes the present proposal a timely and essential one. The theoretical framework applies to multi-electron quantum systems such as atoms and molecules, systems that is known to be of particular importance in cutting edge research areas such as nano-science, atomic and plasma physics as well as quantum chemistry.

By drawing our expertise around a well defined subject, through a very successful theoretical approach, namely the R-matrix approach, this project is aimed to extent and implement a theoretical and computational method, developed by the applicant during his Marie-Curie Fellowship, to describe (ab-initio) the dynamics of molecular hydrogen under strong EM fields. To accomplish this objective, it will be indispensable to merge methods from quantum and computational physics, thus demanding development of numerical algorithms on high-performance architectures.'