299 citations · 2.8k across the 45 of their papers we have counts for
45 papers
Velocity-gauge real-time time-dependent density functional tight-binding for large-scale condensed matter systems
Qiang Xu, Mauro Del Ben, Mahmut Sait Okyay +3
We present a new velocity-gauge real-time, time-dependent density functional tight-binding (VG-rtTDDFTB) implementation in the open-source DFTB+ software package (https://dftbplus.…
Anatomy of High-Performance GEMM with Online Fault Tolerance on GPUs
Shixun Wu, Yujia Zhai, Jinyang Liu +4
General Matrix Multiplication (GEMM) is a crucial algorithm for various applications such as machine learning and scientific computing, and an efficient GEMM implementation is esse…
A light-induced Weyl semiconductor-to-metal transition mediated by Peierls instability
H. Ning, O. Mehio, C. Lian +7
Elemental tellurium is a strongly spin-orbit coupled Peierls-distorted semiconductor whose band structure features topologically protected Weyl nodes. Using time-dependent density…
Improved Band Gaps and Structural Properties from Wannier-Fermi-Löwdin Self-Interaction Corrections for Periodic Systems
Ravindra Shinde, Sharma S. R. K. C. Yamijala, Bryan M. Wong
The accurate prediction of band gaps and structural properties in periodic systems continues to be one of the central goals of electronic structure theory. However, band gaps obtai…
HADOKEN: An Open-Source Software Package for Predicting Electron Confinement Effects in Various Nanowire Geometries and Configurations
Bryan M. Wong, Cameron Chevalier
We present an open-source software package, HADOKEN (High-level Algorithms to Design, Optimize, and Keep Electrons in Nanowires), for predicting electron confinement/localization e…
6 nm super-resolution optical transmission and scattering spectroscopic imaging of carbon nanotubes using a nanometer-scale white light source
Xuezhi Ma, Qiushi Liu, Ning Yu +7
Optical hyperspectral imaging based on absorption and scattering of photons at the visible and adjacent frequencies denotes one of the most informative and inclusive characterizati…