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Modelling superconductivity and spin-related effects in hybrid molecular/two-dimensional materials

Objective

At the intersection of materials science, solid-state physics and quantum chemistry, the design of novel materials in which two or more physical properties are combined into the same solid is currently attracting important attention. In this project, we propose the development of a new generation of hybrid molecular/two-dimensional materials formed by a coordination complex processed into a two-dimensional superconducting substrate (e.g. CuPc@NbSe2 or [V(C3S5)3]@TaS2). The selected molecules to form such architectures are nanomagnets that can be used as molecular spin qubits, the irreducible components of any quantum technology. By using state-of-the-art first-principles methods combined with recent theoretical developments in the host group we intend to establish a full theoretical and computational framework for the rational design of these new hybrid nanomaterials, which can potentially enable the coherent coupling between distant molecular spin qubits through new superconducting phases. With this aim in mind, we will simulate their electronic properties in the normal and superconducting phase, as well as the spin-related effects that will take place due to the interplay between molecular magnetism and superconductivity at the nanometre scale. SuperSpinHyMol will be hosted by a leading expert in the field, Prof. Ángel Rubio, director of the MPSD (Germany) and will also involve collaboration with top international experimental groups, which will fabricate and characterise the proposed materials. Thus, the theoretical results of this project will be benchmarked against high-resolution experiments and refined when necessary. In the long-term, the progress of this project is expected to have profound impacts on materials science, condensed matter physics, as well as molecular magnetism, providing the foundations to guide the design of new nanodevices using chemical engineering for future advances in quantum computing and molecular spintronics.

Fields of science (EuroSciVoc)

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Programme(s)

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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.

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.

MSCA-IF-EF-ST - Standard EF

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Call for proposal

Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.

(opens in new window) H2020-MSCA-IF-2016

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Coordinator

MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV
Net EU contribution

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.

€ 159 460,80
Address
HOFGARTENSTRASSE 8
80539 Munchen
Germany

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Region
Bayern Oberbayern München, Kreisfreie Stadt
Activity type
Research Organisations
Links
Total cost

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.

€ 159 460,80
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