1.3k citations · 3.3k across the 41 of their papers we have counts for
43 papers
Superconductivity and Band Topology in Functionalized 2D Hexagonal MBenes
Mohammad Keivanloo, Shashi B. Mishra, Amirreza Shariatmanesh +5
Recently, two-dimensional transition-metal borides (MBenes) have attracted substantial interest due to their promising properties for electrocatalytic applications. Here, we explor…
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)…