133 citations · 138 across the 3 of their papers we have counts for
4 papers
Time-Reversal Selection Rule for Twist Disorder
Peng Kang, Da Wan, Shulin Bai +7
Random layer rotations are ubiquitous in layered matter, from turbostratic films to rotationally disordered crystals, and strongly suppress transport across the layers. Generated b…
The energetics of force errors in machine-learned molecular dynamics
Peng Kang, Da Wan, Shulin Bai +5
The energetic effect of a force error depends on atomic motion. We establish a directional residual-work coefficient combining directional curvature mismatch with the spatial distr…
Hybrid quantum programming with PennyLane Lightning on HPC platforms
Ali Asadi, Amintor Dusko, Chae-Yeun Park +5
We introduce PennyLane's Lightning suite, a collection of high-performance state-vector simulators targeting CPU, GPU, and HPC-native architectures and workloads. Quantum applicati…
RESCU: a Real Space Electronic Structure Method
Vincent Michaud-Rioux, Lei Zhang, Hong Guo
In this work we present RESCU, a powerful MATLAB-based Kohn-Sham density functional theory (KS-DFT) solver. We demonstrate that RESCU can compute the electronic structure propertie…