Objective
Light is at the heart of many critical processes, from photon-to-energy conversion to photosynthesis. Common among those fields is that, upon excitation, a molecule has to release energy to return to the ground state. However, deciphering how molecules release this energy is a complex puzzle involving navigating a maze of all the possible deactivation pathways. As more excited states and photoproducts are involved, this puzzle becomes more intricate. All these pathways compete, and the excited-state decay rates dictate the entire photochemistry of the system. To advance light-related applications, we must unravel and map these possibilities. For the same system, we could have thermally and non-thermally equilibrated processes taking place, as well as competing processes spawning from a few femtoseconds up to seconds, thus encompassing this entire spectrum of processes remains a formidable challenge in computational chemistry, demanding radically different approaches: the static and dynamic approaches. In this project, I face this challenge by combining diverse strategies for computing decay rate constants in excited states. The overarching objective is constructing a unified framework that seamlessly merges static and dynamic methodologies. This integration will enable predictions of crucial parameters like fluorescence quantum yields and lifetimes. The roadmap to success involves the development of two distinct protocols. In the integrated-based protocol, I will combine excited-state decay rate theories and nonadiabatic dynamics to accurately compute individual decay rate constants. In the independent-based protocol, I will explore the independent utilization of static and dynamic approaches to compute rates independently, subsequently synthesizing these data to understand photochemical behavior. This proposal is poised to revolutionize our comprehension of photochemical processes, transcending the boundaries of current state-of-the-art methodologies.
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
- natural sciences biological sciences botany
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Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
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.
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HORIZON.1.2 - Marie Skłodowska-Curie Actions (MSCA)
MAIN PROGRAMME
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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.
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.
HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships
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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.
(opens in new window) HORIZON-MSCA-2023-PF-01
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Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.
3000 LEUVEN
Belgium
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.