Ab initio modeling of phonon-mediated superconductivity: Methods, software, and applications

During the past decade, considerable progress in first-principles modeling of phonon-mediated superconductivity has been achieved by combining density functional theory, density functional perturbation theory, and the Migdal-Eliashberg formalism. I will review some of the advanced capabilities of the anisotropic Migdal-Eliashberg formalism with Wannier-based interpolation implemented in the open-source EPW package [1]. The recently introduced features enable fully ab initio calculations of the anisotropic temperature-dependent superconducting gap and critical temperature by accounting for both the electron-phonon and electron-electron interactions on equal footing [2]. I will also present our work on the design of conventional high-temperature superconductors synthesizable under ambient conditions [3, 4].