HPCAMO
A new computational framework for molecular dynamics
| Coordinatore | DUBLIN CITY UNIVERSITY
Organization address
address: Glasnevin contact info |
| 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
| # | ||||
|---|---|---|---|---|
| 1 |
DUBLIN CITY UNIVERSITY
Organization address
address: Glasnevin contact info |
IE (DUBLIN) | coordinator | 45˙000.00 |
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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.'