The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package. - Honghui Shang; Lei Xu 023; Baodong Wu; Xinming Qin; Yunquan Zhang; Jinlong Yang 003 (Comput. Phys. Commun., 2020)

The static parallel distribution algorithms for hybrid density-functional calculations in HONPAS package. - Xinming Qin; Honghui Shang; Lei Xu 023; Wei Hu 006; Jinlong Yang 003; Shigang Li 002; Yunquan Zhang (Int. J. High Perform. Comput. Appl., 2020)

Accelerating Parallel First-Principles Excited-State Calculation by Low-Rank Approximation with K-Means Clustering. - Qingcai Jiang; Jielan Li; Junshi Chen; Xinming Qin; Lingyun Wan; Jinlong Yang 003; Jie Liu 069; Wei Hu 006; Hong An (ICPP, 2022)

2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT. - Wei Hu 006; Hong An; Zhuoqiang Guo; Qingcai Jiang; Xinming Qin; Junshi Chen; Weile Jia; Chao Yang 001; Zhaolong Luo; Jielan Li; Wentiao Wu; Guangming Tan; et al. (SC, 2022)

KSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set. - Shizhe Jiao; Zhenlin Zhang; Kai Wu; Lingyun Wan; Huanhuan Ma; Jielan Li; Sheng Chen; Xinming Qin; Jie Liu 069; Zijing Ding; Jinlong Yang 003; Yingzhou Li; et al. (Comput. Phys. Commun., 2022)

High performance computing for first-principles Kohn-Sham density functional theory towards exascale supercomputers. - Xinming Qin; Junshi Chen; Zhaolong Luo; Lingyun Wan; Jielan Li; Shizhe Jiao; Zhenlin Zhang; Qingcai Jiang; Wei Hu 006; Hong An; Jinlong Yang 003 (CCF Trans. High Perform. Comput., 2023)

DB-SpGEMM: A Massively Distributed Block-Sparse Matrix-Matrix Multiplication for Linear-Scaling DFT Calculations. - Zhong Zheng; Junshi Chen; Yang Zhao 040; Longsheng Song; Xinming Qin; Hong An (ICPP, 2024)

Enabling 13K-Atom Excited-State GW Calculations via Low-Rank Approximations and HPC on the New Sunway Supercomputer. - Wentiao Wu; Zhengbang Zhou; Qingcai Jiang; Junwei Feng; Xinming Qin; Huanhuan Ma; Zhenwei Cao; Junshi Chen; Sheng Chen; Xinyong Meng; Bingkun Hou; Yuanfan Xiong; et al. (SC, 2024)

Extending the limit of LR-TDDFT on two different approaches: Numerical algorithms and new Sunway heterogeneous supercomputer. - Qingcai Jiang; Zhenwei Cao; Xinhui Cui; Lingyun Wan; Xinming Qin; Huanqi Cao; Hong An; Junshi Chen; Jie Liu 069; Wei Hu 006; Jinlong Yang 003 (Parallel Comput., 2024)

PWDFT-SW: Extending the Limit of Plane-Wave DFT Calculations to 16K Atoms on the New Sunway Supercomputer. - Qingcai Jiang; Zhenwei Cao; Junshi Chen; Xinming Qin; Wei Hu 006; Hong An; Jinlong Yang 003 (IEEE Trans. Parallel Distributed Syst., 2025)