2 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.mtrl-sci2026
First-principles study of bulk stacking, picture, magnetic Hamiltonian, factors, and structural distortions of -RuCl
Seung-Ju Hong, Tae Yun Kim, Cheol-Hwan Park
-RuCl is a candidate Kitaev material that exhibits zigzag antiferromagnetic ordering below 7 K. One contentious issue regarding this material is its bulk structure in the l…