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Finite-temperature $textitab initio$ structural optimization of the bilayer nickelate superconductor La$_3$Ni$_2$O$_7$
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Accurate screening of functional materials with machine-learning potential and transfer-learned regressions: Heusler alloy benchmark
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Electron-phonon coupled Langevin dynamics for Mott insulators
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Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
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$Ab$ $initio$ material design of Ag-based oxides for high-$T_c$ superconductor
We propose silver-based oxides with layered perovskite structure as candidates of exhibiting intriguing feature of strongly correlated …
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