Project description
A new approach to the study of molecular magnets
Molecular magnets, particularly those based on lanthanides and actinides, hold great potential for quantum computing and spintronics. These materials exhibit remarkable properties, such as the ability to store and manipulate information at the molecular level thanks to strong relativistic effects unique to these elements. However, the complexity of their magnetic interactions and the limitations of current theoretical tools make their study difficult. The ERC-funded BRUNCH project plans to create a new theoretical framework tailored to relativistic systems, focusing on time-reversal and total angular momentum symmetries. Researchers seek to develop advanced density functional theory methodologies to precisely calculate magnetic interactions and luminescence properties. Project results could pave the way for breakthroughs in molecular magnetism.
Objective
BRUNCH is a fundamental project that will provide an entirely new theoretical framework and develop an ambitious methodological toolbox to tackle the current challenges of molecular magnetism. f-ions-based molecular magnets and subsequent multifunctional materials are on the way to offering the building blocks for tomorrow's technologies, such as quantum computing and spintronics. Most of their appealing features originate from relativistic effects, which are huge in lanthanide and actinide-based complexes. Whilst theoretical chemistry is known to have provided a critical understanding of magnetic phenomena, it faces the reality of increasing complexity in terms of the size and diversity of the physicochemical properties of interest. BRUNCH aims to make density functional theory (DFT) a new standard in molecular magnetism, offering unprecedented access to the computation of magnetic and luminescence properties. Despite its hegemony in chemistry, DFT cannot properly describe magnetic systems, and their study relies on exploiting spin symmetries to bypass the issue. However, in the presence of relativistic effects, the notion of spin and the associated symmetries become irrelevant. The key idea of BRUNCH is to develop a theoretical framework based on symmetries specifically adapted to the relativistic context: time-reversal and symmetries associated with the total angular momentum. This will enable the implementation of a methodological toolbox in relativistic quantum chemistry. It includes novel DFT methodologies able to accurately/quantitatively assess magnetic interactions and luminescence properties. BRUNCH will allow addressing critical issues at the heart of molecular magnetism, e.g. decoherence phenomena or the magneto-electric effect. By doing so, BRUNCH aims to revolutionise relativistic quantum chemistry and drive a major breakthrough in the field of molecular magnetism.
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)
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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.
Funding Scheme
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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.
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-2025-STG
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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.
75794 PARIS
France
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