Objective
Accurately predicting electronic structure from first principles is crucial for many research areas such as chemistry, solid-state physics, biophysics and material sciences. In principle, the electronic structure is determined by the Schrödinger equation, which can only be solved in practice for few electrons. Kohn-Sham (KS) Density functional theory (DFT) has been a real breakthrough for electronic structure calculations. KS DFT uses the one-electron density and a non-interacting wave function as basic variables, much simpler quantities than many-electron wave-functions, allowing to treat realistic large systems.
However, present-day KS DFT is not yet able to accurately capture the physics of systems in which electronic correlation plays a prominent role (e.g. transition metals). In recent years, the hosting group has developed a formalism to deal with density functional theory for strongly correlated systems (SCE), based on the exact DFT limit of infinite coupling strength, linking SCE DFT to Optimal Transport Theory with Coulomb costs.
This project creates a mathematical framework toward a rigorous SCE DFT theory, proposed by Gori-Giorgi and co-authors, combining the fellow's expertise in optimal transport and the host researcher experience in SCE DFT. This relies to (i) the study of a new instance of optimal transport problem with finitely many marginals and Coulomb cost; (ii) the computation of higher-order terms of the Levy-Lieb (Hohenberg-Kohn) functional around the infinite coupling strength limit.
The problems arising in multi-marginal optimal transport and SCE DFT requires novel combinations of ideas from three research communities: chemists, physicists and mathematics. Our goal is to turn numerical results and physical ideas developed by P. Gori-Giorgi's group (host researcher) into theorems.
The researcher is a mathematician and the site of research is the Theoretical Chemistry section of the Vrije Universiteit Amsterdam.
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.
- natural sciences physical sciences condensed matter physics solid-state physics
- natural sciences biological sciences biophysics
- natural sciences mathematics
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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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H2020-EU.1.3. - EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions
MAIN PROGRAMME
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H2020-EU.1.3.2. - Nurturing excellence by means of cross-border and cross-sector mobility
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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.
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.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
(opens in new window) H2020-MSCA-IF-2017
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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.
1081 HV Amsterdam
Netherlands
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.