Summary
After the discovery of superconductivity at above 200 K in the hydrogen sulfide system, two clear conclusions can be drawn: i) there is lots of room for discovering new hydrogen-based high-temperature superconducting compounds, and ii) first-principles calculations can guide the discovery of these materials. In fact, the possibility of high-temperature superconductivity in the hydrogen sulfide system had been predicted before the experiment.
However, in order to be accurate and reliable for this type of compounds, first-principles calculations need to go far beyond the state-of-the-art to correctly incorporate the large quantum effects intrinsic to hydrogen atoms. Huge errors on the superconducting properties of materials are often obtained with state-of-the-art methods, misguiding experimental effort.
In this project we will develop a new method that will make first-principles calculations correctly incorporate such quantum effects and, thus, reach an unprecedented precision and accuracy.
With the use of the novel first-principles method we will characterize correctly the physical and chemical properties of hydrogen-based superconductors, aiming at understanding clearly why and when these materials become high-temperature superconductors. We will also investigate the possibility of high-temperature superconductivity at ambient pressure in this type of compounds. In the end of the project, we will focus our theoretical effort to the discovery of new high-temperature superconductors, focusing on hydrides, hydrogen-storage materials, and organic compounds.
However, in order to be accurate and reliable for this type of compounds, first-principles calculations need to go far beyond the state-of-the-art to correctly incorporate the large quantum effects intrinsic to hydrogen atoms. Huge errors on the superconducting properties of materials are often obtained with state-of-the-art methods, misguiding experimental effort.
In this project we will develop a new method that will make first-principles calculations correctly incorporate such quantum effects and, thus, reach an unprecedented precision and accuracy.
With the use of the novel first-principles method we will characterize correctly the physical and chemical properties of hydrogen-based superconductors, aiming at understanding clearly why and when these materials become high-temperature superconductors. We will also investigate the possibility of high-temperature superconductivity at ambient pressure in this type of compounds. In the end of the project, we will focus our theoretical effort to the discovery of new high-temperature superconductors, focusing on hydrides, hydrogen-storage materials, and organic compounds.
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More information & hyperlinks
| Web resources: | https://cordis.europa.eu/project/id/802533 |
| Start date: | 01-02-2019 |
| End date: | 31-01-2025 |
| Total budget - Public funding: | 1 432 500,00 Euro - 1 432 500,00 Euro |
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Original description
After the discovery of superconductivity at above 200 K in the hydrogen sulfide system, two clear conclusions can be drawn: i) there is lots of room for discovering new hydrogen-based high-temperature superconducting compounds, and ii) first-principles calculations can guide the discovery of these materials. In fact, the possibility of high-temperature superconductivity in the hydrogen sulfide system had been predicted before the experiment.However, in order to be accurate and reliable for this type of compounds, first-principles calculations need to go far beyond the state-of-the-art to correctly incorporate the large quantum effects intrinsic to hydrogen atoms. Huge errors on the superconducting properties of materials are often obtained with state-of-the-art methods, misguiding experimental effort.
In this project we will develop a new method that will make first-principles calculations correctly incorporate such quantum effects and, thus, reach an unprecedented precision and accuracy.
With the use of the novel first-principles method we will characterize correctly the physical and chemical properties of hydrogen-based superconductors, aiming at understanding clearly why and when these materials become high-temperature superconductors. We will also investigate the possibility of high-temperature superconductivity at ambient pressure in this type of compounds. In the end of the project, we will focus our theoretical effort to the discovery of new high-temperature superconductors, focusing on hydrides, hydrogen-storage materials, and organic compounds.
Status
SIGNEDCall topic
ERC-2018-STGUpdate Date
27-04-2024
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