Objective
The aim of this project (MODENADYNA) is to push Time-Dependent Density Functional Theory (TDDFT) beyond the present 'state of the art' by implementing a novel computational scheme to MODel Electron Non-Adiabatic DYNAmics due to electron-electron scattering processes. This goal matches the needs of: (i) going beyond the simplest adiabatic approximation -- commonly adopted in the description of ultrafast phenomena at the nanoscale; and
(ii) dealing with the actual spatial inhomogeneities of many-electron systems at non-adiabatic level.
Adiabatic approximation partially or completely fails to describe a large class of physical phenomena, such as multiple excitations, charge-transfer and dissipation processes. The required dynamical corrections to describe the physics and chemistry of the systems of interest must also take into account the different degree of spatial localization of the electrons. For example, this is needed in the calculations of atomic transition energies or in the simulation of electron transport through a molecular junction. Other remarkable examples are light-harvesting processes, in which a photon is absorbed by the system on an ultra-short time scale, while dramatic changes both in charge distribution and ion configuration may occur on a much longer time scale. These are examples which demand a theoretical description of the electron dynamics over different time scales and spatial regions.
The knowledge that will be transferred to Europe by this project is significant both on the theoretical and on the applicative levels. The developed algorithms will be delivered within renowned European open-source TDDFT codes.
This will allow Europe to gain a position of advantage in the capability of simulating, manipulating, and eventually controlling matter on the nanoscale. European excellence in the field will be consolidated along with the career of the fellow.
Long-term international collaborations will be strongly stimulated as well.
Fields of science (EuroSciVoc)
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: https://op.europa.eu/en/web/eu-vocabularies/euroscivoc.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: https://op.europa.eu/en/web/eu-vocabularies/euroscivoc.
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Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
FP7-PEOPLE-2013-IIF
See other projects for this call
Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Coordinator
00185 Roma
Italy
The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.