[1] | Honghui Shang*#, Yi Fan#, Li Shen, Chu Guo*, Jie Liu*, Xiaohui Duan, Fang Li, and Zhenyu Li. Towards practical and massively parallel quantum computing emulation for quantum chemistry. npj Quantum Information, 9, 33 (2023). |
[2] | Honghui Shang and Jinlong Yang*. The electron-phonon renormalization in the electronic structure calculation: Fundamentals, current status, and challenges.The Journal of Chemical Physics, 158, 130901 (2023). (Featured Article) |
[3] | Huan Ma, Jie Liu*, Honghui Shang*, Yi Fan, Zhenyu Li, and Jinlong Yang*. Multiscale quantum algorithms for quantum chemistry. Chemical Science, 14, 3190 (2023). |
[4] | Honghui Shang#*, Li Shen#, Yi Fan, Zhiqian Xu, Chu Guo*, Jie Liu*, Wenhao Zhou, Huan Ma, Rongfen Lin, Yuling Yang, Fang Li, Zhuoya Wang, Yunquan Zhang, and Zhenyu Li. Large-Scale Simulation of Quantum Computational Chemistry on a New Sunway Supercomputer. In Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis, SC '22. IEEE. |
[5] | Weijian Tao#, Leilei Zhu#, Kanghua Li, Chao Chen, Yuzhong Chen, Yujie Li, Xufeng Li, Jiang Tang, Honghui Shang*, and Haiming Zhu*. Coupled Electronic and Anharmonic Structural Dynamics for Carrier Self‐Trapping in Photovoltaic Antimony Chalcogenides. Advanced Science, 9, 2202154 (2022). |
[6] | Honghui Shang*, Fang Li*, Yunquan Zhang*, Libo Zhang, You Fu, Yingxiang Gao, Yangjun Wu, Xiaohui Duan, Rongfen Lin, Xin Liu, Ying Liu, and Dexun Chen. Extreme-scale ab initio quantum raman spectra simulations on the leadership HPC system in China. In Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, SC '21 (GB finalist). |
[7] | Honghui Shang#, Xin Chen#, Xingyu Gao, Rongfen Lin*, Lifang Wang, Fang Li, Qian Xiao, Lei Xu, Qiang Sun, Leilei Zhu, Fei Wang, Yunquan Zhang*, and Haifeng Song*. TensorKMC: Kinetic Monte Carlo Simulation of 50 Trillion Atoms Driven by Deep Learning on a New Generation of Sunway Supercomputer. In Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, SC '21. ACM. |
[8] | Honghui Shang*, Fang Li*, Yunquan Zhang, Ying Liu, Libo Zhang, Mingchuan Wu, Yangjun Wu, Di Wei, Huimin Cui, Xin Liu, Fei Wang, Yuxi Ye, Yingxiang Gao, Shuang Ni, Xin Chen, and Dexun Chen. Accelerating all-electron ab initio simulation of raman spectra for biological systems. In Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, SC '21. ACM. |
[9] | Honghui Shang, Nathaniel Raimbault, Patrick Rinke, Matthias Scheffler, Mariana Rossi*, and Christian Carbogno*. All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT. New Journal of Physics, 20, 073040 (2018). |
[10] | Honghui Shang*, Christian Carbogno, Patrick Rinke, and Matthias Scheffler. Lattice dynamics calculations based on density-functional perturbation theory in real space. Computer Physics Communications, 215, 26 (2017). |
