Many-core acceleration of the first-principles all-electron quantum perturbation calculations. - Honghui Shang; Xiaohui Duan; Fang Li; Libo Zhang; Zhiqian Xu 005; Kan Liu; Haiwen Luo; Yingrui Ji; Wenxuan Zhao; Wei Xue 003; Li Chen; Yunquan Zhang (Comput. Phys. Commun., 2021)

Large-Scale Simulation of Quantum Computational Chemistry on a New Sunway Supercomputer. - Honghui Shang; Li Shen 001; Yi Fan; Zhiqian Xu 005; Chu Guo; Jie Liu 069; Wenhao Zhou; Huan Ma; Rongfen Lin; Yuling Yang; Fang Li; Zhuoya Wang; et al. (SC, 2022)

Increasing the Efficiency of Massively Parallel Sparse Matrix-Matrix Multiplication in First-Principles Calculation on the New-Generation Sunway Supercomputer. - Xin Chen 023; Yingxiang Gao; Honghui Shang; Fang Li; Zhiqian Xu 005; Xin Liu 081; Dexun Chen (IEEE Trans. Parallel Distributed Syst., 2022)

Differentiable matrix product states for simulating variational quantum computational chemistry. - Chu Guo; Yi Fan; Zhiqian Xu 005; Honghui Shang (Quantum, 2023)

Scalable and Differentiable Simulator for Quantum Computational Chemistry. - Zhiqian Xu 005; Honghui Shang; Yi Fan; Xiongzhi Zeng; Yunquan Zhang; Chu Guo (IPDPS, 2024)

MPS-VQE: A variational quantum computational chemistry simulator with matrix product states. - Zhiqian Xu 005; Yi Fan; Chu Guo; Honghui Shang (Comput. Phys. Commun., 2024)