24 citations · 45 across the 12 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…
quant-ph2024
Accurate Chemical Reaction Modeling on Noisy Intermediate-Scale Quantum Computers Using a Noise-Resilient Wavefunction Ansatz
Xiongzhi Zeng, Huili Zhang, Shizheng Zhang +7
Quantum computing is of great potential for chemical system simulations. In this study, we propose an efficient protocol of quantum computer based simulation of chemical systems wh…
quant-ph2024
Perturbative variational quantum algorithms for material simulations
Jie Liu, Zhenyu Li, Jinlong Yang
Reducing circuit depth is essential for implementing quantum simulations of electronic structure on near-term quantum devices. In this work, we propose a variational quantum eigens…