科研队伍

1. Yonghui Song#, Bo Li#, Zijian Wang#, Xiaolin Tai#, Guanjie Ding, Zidu Li, Huaiyu Xu, Jingming Hao, Kuanghui Song, Lizhe Feng, Yalan Hu, Yichen Yin, Baisheng Zhu, Guozhen Zhang, Huanxin Ju, Guanhaojie Zheng*, Wei Hu*, Yue Lin*, Fengjia Fan*, and Hongbin Yao*, Intragrain 3D perovskite heterostructure for high-performance pure-red perovskite LEDs, Nature 641, 352 (2025).

2. Qingcai Jiang, Zhenwei Cao, Junshi Chen, Xinming Qin, Wei Hu*, Hong An*, Jinlong Yang*, PWDFT-SW: Extending the limit of plane-wave DFT calculations to 16K atoms on the new Sunway supercomputer, IEEE Transactions on Parallel and Distributed Systems 36, 1495-1508 (2025).

3. Wentiao Wu, Zhengbang Zhou, Qingcai Jiang, Junwei Feng, Xinming Qin, Huanhuan Ma, Zhenwei Cao, Junshi Chen, Sheng Chen, Xinyong Meng, Bingkun Hou, Yuanfan Xiong, Linhao Wang, Yixuan Sun, Hong An, Jinlong Yang, Wei Hu*, Enabling 13K-atom excited-state GW calculations via low-rank approximations and HPC on the new Sunway supercomputer, SC’24: International Conference for High Performance Computing, Networking, Storage and Analysis, 61, 1-14, (2024).

4. Xinming Qin, Wei Hu *, and Jinlong Yang*, Interpolative separable density fitting for accelerating two-electron integrals: A theoretical perspective, Journal of Chemical Theory and Computation, 19, 679 (2023).

5. Wei Hu, Hong An, Zhuoqiang Guo, Qingcai Jiang, Xinming Qin, Junshi Chen, Weile Jia, Chao Yang, Zhaolong Luo, Jielan Li, Wentiao Wu, Guangming Tan, Dongning Jia, Qinglin Lu, Fangfang Liu, Min Tian, Fang Li, Yeqi Huang, Liyi Wang, Sha Liu, Jinlong Yang*, 2.5 million-atom ab initio electronic-structure simulation of complex metallic heterostructures with DGDFT, SC'22: Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis 5, 1-13 (2022);  ACM Gordon Bell finalist (2022).

6. Jiajia Chen, Kai Wu, Wei Hu*, Jinlong Yang*, High-throughput inverse design for 2D ferroelectric rashba semiconductors, Journal of the American Chemical Society, 144, 20035 (2022).

7. Jielan Li, Wei Hu*, and Jinlong Yang*, High-throughput screening of rattling-induced ultralow lattice thermal conductivity in semiconductors, Journal of the American Chemical Society, 144, 4448 (2022).

8. Kai Wu, Xinming Qin, Wei Hu, and Jinlong Yang, Low-rank approximations accelerated plane-wave hybrid functional calculations with K-point sampling, Journal of Chemical Theory and Computation, 18, 206 (2022).

9. Wei Hu, Xinming Qin, Qingcai Jiang, Junshi Chen, Hong An*, Weile Jia, Fang Li, Xin Liu, Dexun Chen, Fangfang Liu, Yuwen Zhao, Jinlong Yang*, High Performance Computing of DGDFT for Tens of Thousands of Atoms using Millions of Cores on Sunway TaihuLight, Science Bulletin, 66, 111 (2021).

10. Wei Hu*, Lin Lin*, Ruiqi Zhang, Chao Yang*, and Jinlong Yang*, Highly efficient photocatalytic water splitting over edge-modified phosphorene nanoribbons, Journal of the American Chemical Society, 139, 15429 (2017).