Project description
Understanding molecule formation in the interstellar medium
Early astronomers viewed the interstellar medium (ISM) as mainly ionic and atomic material, making the formation of complex molecules unlikely. However, recent scientific discoveries reveal a region rich in large, complex molecules. The extreme conditions of deep space force reactions into excited electronic states, generating unique molecular phenomena. Researchers struggle to explain this formation because they lack modern quantum-chemical tools. The ERC-funded AstroMol project aims to develop new theoretical models. It will model the dynamics of highly excited large molecules, such as those in the ISM, potentially leading to breakthroughs in computational chemistry and in our understanding the ISM.
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)
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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)
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Topic(s)
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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.
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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.
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Call for proposal
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(opens in new window) ERC-2023-STG
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91904 Jerusalem
Israel
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