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)

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)

A fast low-rank inversion algorithm of dielectric matrix in GW approximation. - Zhengbang Zhou; Huanhuan Ma; Wentiao Wu; Weiguo Gao; Jinlong Yang 003; Meiyue Shao; Wei Hu 006 (CoRR, 2024)

Uniform Dense Blocking for Efficient Sparse LU Factorization in First-Principles Materials Simulation. - Chao Wang; Junshi Chen; Longsheng Song; Haijie Hou; Dongdong Tan; Yueqiang He; Wentiao Wu; Sihan Lu; Hong An (Euro-Par (3), 2025)