Objective
Research objectives and content:
The advent of ultrashort laser pulses in the last decade has allowed the possibility of determining and controlling ultrafast chemical reactions using lasers. Recent experiments using femtosecond pump-probe spectroscopy have managed to follow the dynamics of the competing processes of photo-ionization and photo-dissociative ionization of sodium iodide. The experiments used both isolated (gas phase) NaI and NaI in a cluster, solvated with a varying number of molecules of acetonitrile. The results show a very strong dependence on the number of molecules of solvent. Recent theoretical calculations can reproduce the experimental results for the isolated NaI, but industrially relevant reactions are likely to use solvated reactants. The first objective of this proposal is to combine methods developed to model the dynamics of the fragmentation process with those developed to study molecular clusters, in order to explain fully the experimental results for the solvated NaI. The second objective is to model a mechanism through which a series of laser pulses can be used to control the branching ratios of the fragmentation. As a prototypical system, this research will reveal valuable insights into the control of other chemical reactions.
Training content (objective, benefit and expected impact)
This project provides the perfect opportunity to widen the knowledge I have gained through my studies of electron scattering from molecules into many areas of molecular dynamics. In particular, it would give me experience in two new and exciting fields, molecular clusters and laser control of chemical reactions. On the technical side, it would provide rigorous training in quantum chemistry computation and a multitude of numerical methods.
Links with industry / industrial relevance (22)
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 inorganic chemistry alkali metals
- natural sciences chemical sciences physical chemistry quantum chemistry
- natural sciences mathematics applied mathematics numerical analysis
- natural sciences physical sciences optics laser physics
- natural sciences mathematics applied mathematics mathematical model
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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.
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Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
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
91405 GOMETZ LA VILLE
France
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.