High-throughput discovery of high-temperature conventional superconductors

Here, the search for superconducting hydrides is supercharged by a high-performance screening process, leveraging Gaspari-Gyorffy theory to avoid expensive phonon calculations. Combined with stability and metallicity screening, this allows investigation of hundreds thousands candidates from across periodic table, found via crystal structure prediction. From best candidates, full electron-phonon calculations reveal many promising materials, including superconductivity at In work, leverageing ~260 K in NaH${}_{6}$ 100 GPa, ~380 (106 \ifmmode^\circ\else\textdegree\fi{}C) MgH${}_{12}$ 500 GPa.