商红慧-中国科学院大学-UCAS

研究领域

1. 高性能计算程序开发与优化

2. 第一性原理方法发展，程序开发与应用

3. 动力学蒙特卡洛方法发展，程序开发与应用

招生信息

硕士1名

招生专业

081203-计算机应用技术
070304-物理化学
081202-计算机软件与理论

招生方向

高性能计算，第一性原理方法，并行程序优化

教育背景

2006-09--2011-09 中国科学技术大学博士
2002-09--2006-07 中国科学技术大学学士

工作经历

工作简历

2018-11~现在, 中科学计算技术研究所, 副研究员
2011-10~2018-05,马普学会弗里茨-哈伯研究所理论系, 博士后

出版信息

[1]	Mingchuan Wu, Yangjun Wu, Honghui Shang, Ying Liu, Huimin Cui, Fang Li, Xiaohui Duan, Yunquan Zhang, and Xiaobing Feng. Scaling Poisson Solvers on Many Cores via MMEwald. IEEE Transactions on Parallel and Distributed Systems, pages 1--1, 2021. [ bib \| DOI \| http ]
[2]	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, pages 1--14, New York, NY, USA, nov 2021. ACM. [ bib \| DOI \| http ]
[3]	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, pages 1--15, New York, NY, USA, nov 2021. ACM. [ bib \| DOI \| http ]
[4]	Fang Li, Xin Liu, Yong Liu, Pengpeng Zhao, Yuling Yang, Honghui Shang, Weizhe Sun, Zhen Wang, Enming Dong, and Dexun Chen. SW_Qsim: A Minimize-Memory Quantum Simulator with High-Performance on a New Sunway Supercomputer. In Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, volume 1, pages 1--13, New York, NY, USA, nov 2021. ACM. [ bib \| DOI \| http ]
[5]	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, pages 1--13, New York, NY, USA, nov 2021. ACM. [ bib \| DOI \| http ]
[6]	Lei Xu, Li-Fang Wang, Xin Chen, Xingyu Gao, Hong-Hui Shang, Hai-Feng Liu, and Hai-Feng Song. Long-term behavior of vacancy defects in Pu-Ga alloy: effects of temperature and Ga concentration. Computational and Theoretical Chemistry, page 113338, 2021. [ bib \| DOI \| http ]
[7]	Honghui Shang, Xiaohui Duan, Fang Li, Libo Zhang, Zhiqian Xu, Kan Liu, Haiwen Luo, Yingrui Ji, Wenxuan Zhao, Wei Xue, Li Chen, and Yunquan Zhang. Many-core acceleration of the first-principles all-electron quantum perturbation calculations. Computer Physics Communications, 267:108045, oct 2021. [ bib \| DOI \| http ]
[8]	Ningning Li, Leilei Zhu, Honghui Shang, Feng Wang, Yu Zhang, Yuyu Yao, Junjun Wang, Xueying Zhan, Fengmei Wang, Jun He, and Zhenxing Wang. Controlled synthesis and Raman study of a 2D antiferromagnetic P-type semiconductor: α-MnSe. Nanoscale, 13(14):6953--6964, 2021. [ bib \| DOI ]
[9]	Honghui Shang and Jinlong Yang. Capturing the Electron–Phonon Renormalization in Molecules from First-Principles. The Journal of Physical Chemistry A, 125(12):2682--2689, apr 2021. [ bib \| DOI \| http ]
[10]	Honghui Shang, Jin Zhao, and Jinlong Yang. Assessment of the Mass Factor for the Electron–Phonon Coupling in Solids. The Journal of Physical Chemistry C, 125(11):6479--6485, mar 2021. [ bib \| DOI \| http ]
[11]	Honghui Shang. The Sternheimer approach to all-electron real-space density-functional perturbation theory with atomic basis set. AIP Advances, 11(1):015224, jan 2021. [ bib \| DOI \| http ]
[12]	Honghui Shang and Haidi Wang. Anharmonic Raman spectra simulation of crystals from deep neural networks. AIP Advances, 11(3):35105, mar 2021. [ bib \| DOI \| http ]
[13]	Honghui Shang and Jinlong Yang. Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic Orbitals. Frontiers in Chemistry, 8:956, nov 2020. [ bib \| DOI \| http ]
[14]	Honghui Shang, WanZhen Liang, Yunquan Zhang, and Jinlong Yang. Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory. Computer Physics Communications, 258:107613, 2021. [ bib \| DOI \| http ]
[15]	Tong Shen, Xiao-Wei Zhang, Honghui Shang, Min-Ye Zhang, Xinqiang Wang, En-Ge Wang, Hong Jiang, and Xin-Zheng Li. Influence of high-energy local orbitals and electron-phonon interactions on the band gaps and optical absorption spectra of hexagonal boron nitride. Phys. Rev. B, 102(4):45117, 2020. [ bib \| DOI \| http ]
[16]	Honghui Shang, Lei Xu, Baodong Wu, Xinming Qin, Yunquan Zhang, and Jinlong Yang. The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package. Computer Physics Communications, 254:107204, sep 2020. [ bib \| DOI \| http ]
[17]	Xinming Qin, Honghui Shang, Lei Xu, Wei Hu, Jinlong Yang, Shigang Li, and Yunquan Zhang. The static parallel distribution algorithms for hybrid density-functional calculations in HONPAS package. International Journal of High Performance Computing Applications, 34(2):159--168, mar 2020. [ bib \| DOI \| http ]
[18]	Honghui Shang and Jinlong Yang. The Moving-Grid Effect in the Harmonic Vibrational Frequency Calculations with Numeric Atom-Centered Orbitals. The Journal of Physical Chemistry A, 124(14):2897--2906, apr 2020. [ bib \| DOI \| http ]
[19]	Kun Li, Honghui Shang, Yunquan Zhang, Shigang Li, Baodong Wu, Dong Wang, Libo Zhang, Fang Li, Dexun Chen, and Zhiqiang Wei. OpenKMC: a KMC design for hundred-billion-atom simulation using millions of cores on Sunway Taihulight. In Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, page 68. ACM, 2019. [ bib ]
[20]	Honghui Shang, Adam Argondizzo, Shijing Tan, Jin Zhao, Patrick Rinke, Christian Carbogno, Matthias Scheffler, and Hrvoje Petek. Electron-phonon coupling in $d$-electron solids: A temperature-dependent study of rutile ${Ti}{{O}}_{2}$ by first-principles theory and two-photon photoemission. Phys. Rev. Research, 1(3):33153, 2019. [ bib \| DOI \| http ]
[21]	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(7):073040, jul 2018. [ bib \| DOI \| http ]
[22]	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--46, jun 2017. [ bib \| DOI \| http ]
[23]	Ulla Simon, Sebastián Alarcón Villaseca, Honghui Shang, Sergey V Levchenko, Sebastian Arndt, Jan D Epping, Oliver Görke, Matthias Scheffler, Reinhard Schomäcker, Johan van Tol, Andrew Ozarowski, and Klaus-Peter Dinse. Li/MgO Catalysts Doped with Alio-valent Ions. Part II: Local Topology Unraveled by EPR/NMR and DFT Modeling. ChemCatChem, 9(18):3597--3610, sep 2017. [ bib \| DOI \| http ]
[24]	Hikmet Sezen, Honghui Shang, Fabian Bebensee, Chengwu Yang, Maria Buchholz, Alexei Nefedov, Stefan Heissler, Christian Carbogno, Matthias Scheffler, Patrick Rinke, and Christof Wöll. Evidence for photogenerated intermediate hole polarons in ZnO. Nature Communications, 6(1):6901, dec 2015. [ bib \| DOI \| http ]
[25]	Adam Argondizzo, Xuefeng Cui, Cong Wang, Huijuan Sun, Honghui Shang, Jin Zhao, and Hrvoje Petek. Ultrafast multiphoton pump-probe photoemission excitation pathways in rutile TiO 2 ( 110 ). Physical Review B, 91(15):155429, apr 2015. [ bib \| DOI \| http ]
[26]	Xinming Qin, Honghui Shang, Hongjun Xiang, Zhenyu Li, and Jinlong Yang. HONPAS: A linear scaling open-source solution for large system simulations. International Journal of Quantum Chemistry, 115(10):647--655, may 2015. [ bib \| DOI \| http ]
[27]	Honghui Shang, Zhenyu Li, and Jinlong Yang. Implementation of screened hybrid density functional for periodic systems with numerical atomic orbitals: Basis function fitting and integral screening. The Journal of Chemical Physics, 135(3):034110, jul 2011. [ bib \| DOI \| http ]
[28]	Honghui Shang, Hongjun Xiang, Zhenyu Li, and Jinlong Yang. Linear scaling electronic structure calculations with numerical atomic basis set. International Reviews in Physical Chemistry, 29(4):665--691, oct 2010. [ bib \| DOI \| http ]
[29]	Honghui Shang, Zhenyu Li, and Jinlong Yang. Implementation of Exact Exchange with Numerical Atomic Orbitals. The Journal of Physical Chemistry A, 114(2):1039--1043, jan 2010. [ bib \| DOI \| http ]

科研活动

合作情况

（1）中国科学技术大学

（2）北京大学

（3）南方科技大学