3 papers
cond-mat.mtrl-sci2026
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…
cond-mat.mes-hall2025
Comparative study of phonon-limited carrier transport in the Weyl semimetal TaAs family
Shashi B. Mishra, Zhe Liu, Sabyasachi Tiwari +2
We present a systematic first-principles study of phonon-limited transport in the TaAs family of Weyl semimetals using the ab initio Boltzmann transport equation. The calculated el…
cond-mat.mtrl-sci2025
Phonon-limited carrier transport in the Weyl semimetal TaAs
Zhe Liu, Shashi B. Mishra, Jae-Mo Lihm +2
Topological Weyl semimetals represent a novel class of quantum materials that exhibit remarkable properties arising from their unique electronic structure. In this work, we employ…