Objective
Metal nanoclusters (MNC) are atomically precise metal nanoparticles with definite mass, structure, and chemical composition. Their metal core of 1-3 nm in diameter exhibits quantized electronic structure, and they are chemically stabilized by a molecular surface layer which is modifiable for functionalization and optimized biocompatibility, making them promising materials for novel applications in bioimaging, biosensing and nanomedicine as fluorescent markers, sensors and targeting drug carriers, paving way to personalized medicine and therapeutics. Their ultrasmall size makes them amenable to atom-scale modeling which may greatly help experimental efforts to design their properties for applications. However, consolidated simulation strategies capable of dealing with phenomena over a wide range of dynamical processes at the nanocluster – biomolecule interfaces are missing. To address this need, DYNANOINT will develop new multiscale simulation strategies, assessing critically graph theory and machine learning (ML) methods as potential accelerators for discovery of structure-function relationships combined with traditional electronic structure methods and force-field based dynamical simulations. The methodology is applied to (i) weak chemical interactions between MNCs and proteins, (ii) electronic excitations and charge-transfer interactions at the MNC – environment interface, and (iii) chiral MNC – environment interfaces. PI’s extensive collaboration network to three key experiments around the world ensures efficient spread of impact of this theoretical-computational project to real-life applications. The project has a broad impact on computational nanoscience since the developed open-source software will give new tools to study structure-function relations in low-dimensional, low-symmetry nanostructures for which combination of robust, transferable, and interpretable ML models with traditional simulations methods poses a significant contemporary challenge.
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-ADG
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.
40100 Jyvaskyla
Finland
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.