Project description
Advanced computational tool to model molecular interactions in space
The discovery of complex molecules in space is rapidly growing, highlighting the need for better tools to understand how these molecules interact in interstellar environments. Since conditions in space often disrupt equilibrium, collisional and radiative processes play a key role in shaping molecular energy levels. The EU-funded VIBREAC project aims to develop a new quasi-classical trajectory computational tool that can model molecular collisions with unprecedented precision. This tool should help improve predictions for reactive and inelastic collisions involving abundant interstellar species such as molecular hydrogen, helium and hydrogen.
Objective
The aim of the VIBREAC project is to develop a new computational tool based on a quasi-classical statistical model for the state-to-state treatment of molecular interactions. Recent conferences and commission reports of leading astronomical networks have emphasised that rovibrationally state-resolved collisional data for molecules are essential for future observational astronomy, as the number of detections of new, complex molecules has increased rapidly in recent years. In interstellar environments where local thermodynamic equilibrium conditions are not fulfilled, collisional and radiative processes compete to populate the rovibrational levels, which should be taken into account in proper astrophysical models. The accurate interpretation of the observations, which allows the relative abundance of particular molecules to be inferred, therefore requires a proper knowledge of both their collisional and radiative properties upon their interaction with the most abundant interstellar species such as H2, He or H. In the project, we will develop a significantly improved quasi-classical trajectory (QCT) molecular scattering model that will be reliable for both reactive and inelastic collisions involving polyatomic species, with full a state-selective resolution of the rotational-vibrational levels of the reactants and products, which is currently beyond the state-of-the-art. Although the fellow already has extensive knowledge in this field, the VIBREAC project will provide him with additional training, new skills and expertise in scattering dynamics and statistical modelling at HUN-REN ATOMKI (Debrecen, Hungary), as well as in computational chemistry and automated potential energy surface calculations during secondments to the University of Szeged (Hungary). Overall, this will consolidate his scientific and transferable skills and allow him to become an independent researcher with the aim of obtaining a permanent academic position at a leading European research centre.
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.4.1 - Widening participation and spreading excellence
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-WIDERA-2024-TALENTS-02
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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.
4026 Debrecen
Hungary
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.