128 citations · 129 across the 7 of their papers we have counts for
7 papers
FusionRCG: Orchestrating Recursive Computation Graphs across GPU Memory Hierarchies
Yihong Zhang, Xinran Wei, Junshi Chen +4
Evaluating high-dimensional integrals via deep hierarchical recurrences is a dominant cost in quantum chemistry. While CPUs manage these efficiently, GPUs suffer a critical mismatc…
Long-Lived Coherence between Incoherent Excitons revealed by Time-Resolved ARPES: An Exact Solution
Zhenlin Zhang, Wei Hu, Enrico Perfetto +1
We investigate the exciton dynamics in an exactly solvable two-band model for semiconductors. The model incorporates light-matter, electron-electron and electron-phonon interaction…
Large Scale Finite-Temperature Real-time Time Dependent Density Functional Theory Calculation with Hybrid Functional on ARM and GPU Systems
Rongrong Liu, Zhuoqiang Guo, Qiuchen Sha +6
Ultra-fast electronic phenomena originating from finite temperature, such as nonlinear optical excitation, can be simulated with high fidelity via real-time time dependent density…
PWDFT-SW: Extending the Limit of Plane-Wave DFT Calculations to 16K Atoms on the New Sunway Supercomputer
Qingcai Jiang, Zhenwei Cao, Junshi Chen +4
First-principles density functional theory (DFT) with plane wave (PW) basis set is the most widely used method in quantum mechanical material simulations due to its advantages in a…
A fast low-rank inversion algorithm of dielectric matrix in GW approximation
Zhengbang Zhou, Huanhuan Ma, Wentiao Wu +4
The dielectric response function and its inverse are crucial physical quantities in materials science. We propose an accurate and efficient strategy to invert the dielectric functi…
Extreme-Scale Density Functional Theory High Performance Computing of DGDFT for Tens of Thousands of Atoms using Millions of Cores on Sunway TaihuLight
Wei Hu, Xinming Qin, Caiqing Jiang +7
High performance computing (HPC) is a powerful tool to accelerate the Kohn-Sham density functional theory (KS-DFT) calculations on modern heterogeneous supercomputers. Here, we des…
Electronic Structures of Hybrid Graphene/Phosphorene Nanocomposite
Wei Hu, Tian Wang, Jinlong Yang
Combining the electronic structures of two-dimensional monolayers in ultrathin hybrid nanocomposites is expected to display new properties beyond their simplex components. Here, fi…