128 citations · 129 across the 7 of their papers we have counts for
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cs.DC2024★ 1 cited
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…
math.NA2024
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…