Objective
Modern computational chemistry methods are helpful tools for interpreting experimental and field measurements. The proposed HYDRO-CLUSTER project uses quantum-chemical calculations to provide molecular insight into the effect of humidity on molecular cluster formation in the atmosphere. These atmospheric clusters may grow in size and form aerosols, tiny particles dispersed in the air that hugely impact climate and human health. Water vapour is known to vary the particle formation rate. However, the presence of water molecules in the initial steps of new-particle formation (NPF) is not well understood, as very few theoretical studies on this topic have been published. On one side, hydrated molecular clusters become larger in size, and thus their collision with other molecules is more probable. On the other side, the cluster stability can be either lower or higher, complicating the fragmentation/evaporation of hydrated clusters. Current theoretical models can be several orders of magnitude wrong in predicting NPF rates as they do not account for the effect of water properly. In this project, configurational sampling of micro-hydrated acid-base clusters will be performed to reveal molecular insight into their thermodynamic stability. Machine-learning models for quantum systems will enhance both configurational sampling and molecular dynamics simulations, allowing us for the first time to reveal the role of water in cluster formation. Finally, we will model the effect of humidity on the atmospheric NPF and suggest a methodology for improving global climate models.
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-2022-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.
8000 Aarhus C
Denmark
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.