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In silico design of multicomponent high-Tc superconductors

Pedro Nunes Ferreira (ORCID: 0000-0002-1135-0570)
  • Grant DOI 10.55776/ESP8588124
  • Funding program ESPRIT
  • Status Ongoing
  • Start December 1, 2025
  • End November 30, 2028
  • Funding amount € 340,819

Disciplines

Physics, Astronomy (100%)

Keywords

  • High-temperature superconductivity,
  • Multicomponent superconductivity,
  • Superconducting alloys,
  • Superhydrides,
  • Materials design
Abstract

Imagine power lines that hardly waste any electricity, hospital scanners that are smaller and cheaper, and fast computers that can search for new medications. Superconductors can make this possible, because they carry current without loss and offer special properties. The catch is that most known superconductors only work at very low temperatures or under crushing pressure. Finding ones that work closer to everyday conditions would save energy, cut costs, and open doors to better medical care and cleaner technology. My project is a search for such materials using computers rather than trial and error in an experimental lab. Think of it as exploring a huge recipe book of possible materials. There are far too many to test in the lab one by one. We use simulations and quantum mechanics to predict how a material will behave before anyone mixes the ingredients for real. Smart algorithms and artificial inteligence help us learn from each step, so the search gets faster and more precise over time. We start from promising materials that scientists already know and then tweak them, swapping elements from the periodic table a bit like changing ingredients in a cake. For each candidate we ask simple questions: Is it stable enough to make? Could it carry electricity without resistance at lower pressure and higher temperature? If the answers look good on screen, we design a clear recipe for our lab partners: which starting materials to use, and what pressure and temperature steps to follow. The best candidates that appear in our simulations will be explored together with experienced experimental partners worldwide. This teamwork closes the loop from computer to reality and will speed up progress for society and everyday life.

Research institution(s)
  • Technische Universität Graz - 100%
Project participants
  • Christoph Heil, Technische Universität Graz , mentor
International project participants
  • Ulrich Haussermann, University of Stockholm - Sweden
  • Chris Pickard, University of Cambridge

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