Objective
Until the beginning of the last century, the scientific convention was that the material in the interstellar medium (ISM) between stars and galaxies was mostly in atomic and ionic form thus the formation of complex molecules was improbable. Today, however, large complex molecules are being discovered at a dazzling rate demonstrating the molecular nature of our universe. The physical conditions in the ISM are extremely different than on Earth: in addition to extreme temperatures and low density, there are radiation fields, which, when interacting with atoms and molecules, result in unique chemistry occurring in excited electronic states. This interaction is responsible for many of the chemical phenomena observed in the ISM.
Currently, very little is known about the formation mechanisms of molecules in the ISM. The efforts to uncover the chemistry of the ISM are multidisciplinary, yielding experimental, observational, and theoretical results. Theoretical results are crucial for obtaining a molecular-level understanding of chemical phenomena theoretical results help to guide and decipher experimental and observational results. However, up to now, the toolkit of modern quantum chemistry cannot model the dynamic of large molecules in a highly excited electronic state. The aim of this proposed study is to fill this gap: I will develop new theoretical capabilities within quantum chemistry (specifically, ensemble density functional theory) that will enable us to model the dynamic of highly excited large molecules such as polyaromatic hydrocarbons (which play a crucial role in the chemical evolution of the ISM).
The ability to accurately model the dynamics of excited states will significantly advance the field of computational chemistry, giving it the ability to model systems that are currently outside its reach and provide a leap in our current understanding of the chemistry of the ISM.
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.
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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.1.1 - European Research Council (ERC)
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-ERC - HORIZON ERC Grants
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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) ERC-2023-STG
See all projects funded under this callHost institution
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.
91904 JERUSALEM
Israel
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.