Objective
The use of light pulses in chemistry offers the perspective to finely control atomic and molecular motion in a way that not only redefines the vision of a chemical reaction in itself, but also opens a broad new field of applications and functional device miniaturization, generically called nanotechnology.
In order to deliver upon this promise, it must be possible to accurately predict, not only individual molecular behaviour of excited states, but also its time evolution and how this behaviour is changed through the interaction of the molecule with its environment.
The aim of the current proposal is to go beyond the individual molecule static picture, and advance our knowledge on the dynamics of photochemical systems and the effects of an environment upon them, but also to consolidate methodology and procedures that allow predictability and transferability of simulation results. This will be done by systematic comparison and assessment of different simulation methods at distinct levels of theory.
This proposal combines high level electronic structure calculations and state of the art dynamics simulation methods to study the photochemical reactivity of Protonated Schiff Bases, a prototypical cis-trans isomerizing system, relevant for many photobiological processes. Namely the effect of a solvent environment on the reaction paths of multiple izomerization and on the extended crossing seam will be studied in detail. Dynamics of the system will be studied, using quantum dynamics and QM/MM methodologies, for the individual molecule and the environment.
This proposal builds upon the highly complementary skills of the researcher in solvent effects and non-adiabatic dynamics, and the expertises of one of the world leading research groups in the development of electronic structure solutions in photochemistry. The training provided by the fellowship will empower the researcher with a very complete set of tools which will be instrumental in achieving professional maturity.
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: The European Science Vocabulary.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
- natural sciences chemical sciences physical chemistry photochemistry
- engineering and technology nanotechnology
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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-2011-IEF
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
SW7 2AZ London
United Kingdom
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.