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Content archived on 2024-05-30

A new computational framework for molecular dynamics

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.

Fields of science (EuroSciVoc)

Topic(s)

Call for proposal

FP7-PEOPLE-2009-RG
See other projects for this call

Funding Scheme

MC-ERG - European Re-integration Grants (ERG)

Coordinator

DUBLIN CITY UNIVERSITY
EU contribution
€ 45 000,00
Address
Glasnevin
9 Dublin
Ireland
Region
Ireland Eastern and Midland Dublin
Activity type
Higher or Secondary Education Establishments
Links
Total cost
No data