Objective
Superconductivity is one of the most exciting discoveries of the last century, with great interest in both, academic and technological environments. These systems can conduct the electric current without energy losses and their commercial development would have an enormous societal impact, allowing large-scale production of important devices such as low-loss power cables, electric motors and high-speed quantum computers.
Compressed hydrides bearing lanthanides and transition metals are especially promising materials to reach the goal of room-temperature superconductivity, especially after the recent discovery of superconductivity in LaH10 at 250 K. Other relevant candidates are borides, which share many features with hydrides, as both elements are light metalloids that yield superconductivity at high-pressure and form superconducting compounds with characteristic cluster and ring patterns. Unfortunately, the search is still based on extensive screenings along the periodic table and a framework that allows for the rational proposal of new candidates is missing. In this regard, theoretical chemistry is enormously helpful to make such predictions. However, the calculations in the real (periodic) systems are very expensive as a consequence of the necessity of accounting for electron correlation and electron-phonon coupling, which are computationally demanding.
In this context, we will build and study molecular models to bypass the aforementioned calculations and collect the features of superconductors. This way, we will provide easy-to-compute bonding descriptors (e.g. the ELF, QTAIM …) for hydrides and borides. Then, we will benchmark the models with periodic calculations to validate them, and we will propose new candidates for high-T superconductivity. We will also focus on the role of anharmonic effects (crucial for superconductivity in LaH10).
All in all, we expect to knock down the limitations in superconductors design by providing fast activity descriptors.
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.
- engineering and technology electrical engineering, electronic engineering, information engineering electronic engineering computer hardware quantum computers
- natural sciences chemical sciences inorganic chemistry metalloids
- natural sciences physical sciences electromagnetism and electronics superconductivity
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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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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 - Marie Skłodowska-Curie Individual Fellowships (IF)
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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-2020
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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.
75006 PARIS
France
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.