14 papers
Anharmonicity and Nonadiabaticity in Hydride Superconductors
Shashi B. Mishra, Francesco Belli, Eva Zurek +1
We study superconductivity in representative hydrides using anharmonic phonons, electron-phonon vertex corrections, and full-bandwidth Eliashberg theory. The high-pressure binary h…
Quasiparticle GW for Superconductors: Toward a Unified Treatment of Electron-Phonon and Electron-Plasmon Couplings
Catalin D. Spataru, Christopher Renskers, Elena R. Margine
Superconducting two-dimensional materials, and in particular few-layer graphene, offer an exciting platform for low-power electronics, yet the origin of their unconventional superc…
Electron-phonon physics at the exascale: A hybrid MPI-GPU-OpenMP framework for scalable Wannier interpolation
Tae Yun Kim, Zhe Liu, Sabyasachi Tiwari +2
We demonstrate a highly efficient GPU implementation of the Wannier interpolation of electron-phonon matrix elements in the EPW code. Building on a systematic analysis of the compu…
High-Tc Superconductivity in Functionalized Out-of-Plane Ordered Double Transition Metal MXenes
Mohammad Keivanloo, Fateme Dinmohammad, Shashi B. Mishra +10
Two-dimensional (2D) superconductors attracted growing interest in condensed-matter physics research. In this work, we explore the superconducting properties of surface-functionali…
EPW-VASP interface for first-principles calculations of electron-phonon interactions
Danylo Radevych, Aidan Thorn, Manuel Engel +5
We present an interface between the Vienna \textit{Ab initio} Simulation Package (VASP) and the EPW software for calculating materials properties governed by electron-phonon (e-ph)…
Nonadiabatic and anharmonic effects in high-pressure H3S and D3S superconductors
Shashi B. Mishra, Elena R. Margine
Superconductivity in compressed H3S arises from the interplay between high-frequency phonons and a pronounced van Hove singularity near the Fermi level. Using first-principles calc…