[mkhorton]

Not for superconductivity specifically, but for a broad range of properties of crystals, this is what the Materials Project[0] does.

Materials Project is funded by the US Department of Energy and uses supercomputing to simulate hundreds of thousands of different crystal structures on the quantum mechanical level to try and find those which have useful properties for practical applications.

This line of research is broadly called “materials discovery”, “materials design” (often “high throughput”) or even “materials genomics” depending on who you ask. These terms are provided in case anyone wants to search and read more about it.

[0] https://materialsproject.org