Objective
Spin Transport and Relaxation Dynamics in Single-Molecule Junctions (STARDSMJ) aims at developing a toolbox of computational methods to study spin relaxation of molecular nanomagnets in the presence of charge fluctuations and external bias. This will allow us to investigate the factors affecting the spin relaxation in molecular magnets in realistic environments, namely in the operational conditions of nanoscale devices.
Density Functional Theory combined with non-equilibrium Green's functions (NEGF) theory is the ab initio workhorse method for electron transport calculations. This, however, is limited to scattering from a static potential, while dynamical effects are typically included through appropriate self-energies in a perturbative way. In contrast, spin relaxation can be investigated by propagating in time master equations with parameters extracted from accurate electronic structure theory. In this case the molecule remains in a single charging state and inter-molecular interactions are of dipole-dipole nature. The main goal of STARDAM is to construct a formalism that can capture spin relaxation in an environment with fluctuating number of electrons, namely going beyond and unifying the two approaches. I will achieve this goal by developing and applying a robust theoretical scheme to solve the master equation for the transport of single-molecule junctions, where various effective spin Hamiltonians, extracted from first-principles calculations, will be used to describe the molecule.
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
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Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
(opens in new window) HORIZON-MSCA-2024-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.
D02 CX56 Dublin
Ireland
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.