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2020 – today
- 2024
[j10]Zhiqian Xu, Yi Fan, Chu Guo, Honghui Shang
:
MPS-VQE: A variational quantum computational chemistry simulator with matrix product states. Comput. Phys. Commun. 294: 108897 (2024)- [c10]Zhiqian Xu, Honghui Shang, Yi Fan, Xiongzhi Zeng, Yunquan Zhang, Chu Guo:
Scalable and Differentiable Simulator for Quantum Computational Chemistry. IPDPS 2024: 230-240 - [c9]Honghui Shang, Ying Liu, Zhikun Wu, Zhenchuan Chen, Jinfeng Liu, Meiyue Shao, Yingzhou Li, Bowen Kan, Huimin Cui, Xiaobing Feng, Yunquan Zhang, Donald G. Truhlar, Hong An, Xiao He, Jinlong Yang:
Pushing the Limit of Quantum Mechanical Simulation to the Raman Spectra of a Biological System with 100 Million Atoms. SC 2024: 5 - 2023
- [j9]Chu Guo, Yi Fan, Zhiqian Xu, Honghui Shang:
Differentiable matrix product states for simulating variational quantum computational chemistry. Quantum 7: 1192 (2023) - [j8]Lei Xu, Honghui Shang, Xin Chen, Yunquan Zhang, Lifang Wang, Xingyu Gao, Haifeng Song:
Redesigning OpenKMC for Multi-Component Trillion-Atom Simulations on the New Sunway Supercomputer. IEEE Trans. Parallel Distributed Syst. 34(7): 1997-2010 (2023) - [c8]Zhikun Wu, Yangjun Wu, Ying Liu, Honghui Shang, Yingxiang Gao, Zhongcheng Zhang, Yuyang Zhang, Yingchi Long, Xiaobing Feng, Huimin Cui:
Portable and Scalable All-Electron Quantum Perturbation Simulations on Exascale Supercomputers. SC 2023: 40:1-40:13 - [c7]Yangjun Wu, Chu Guo, Yi Fan, Pengyu Zhou, Honghui Shang:
NNQS-Transformer: an Efficient and Scalable Neural Network Quantum States Approach for Ab initio Quantum Chemistry. SC 2023: 42:1-42:13 - [i2]Yangjun Wu, Chu Guo, Yi Fan, Pengyu Zhou, Honghui Shang:
NNQS-Transformer: an Efficient and Scalable Neural Network Quantum States Approach for Ab initio Quantum Chemistry. CoRR abs/2306.16705 (2023) - [i1]Xin Chen, Yucheng Ouyang, Xin Chen, Zhenchuan Chen, Rongfen Lin, Xingyu Gao, Lifang Wang, Fang Li, Yin Liu, Honghui Shang, Haifeng Song:
TensorMD: Scalable Tensor-Diagram based Machine Learning Interatomic Potential on Heterogeneous Many-Core Processors. CoRR abs/2310.08439 (2023) - 2022
- [j7]Mingchuan Wu, Yangjun Wu, Honghui Shang, Ying Liu, Huimin Cui, Fang Li, Xiaohui Duan, Yunquan Zhang, Xiaobing Feng:
Scaling Poisson Solvers on Many Cores via MMEwald. IEEE Trans. Parallel Distributed Syst. 33(8): 1888-1901 (2022) - [j6]Xin Chen, Yingxiang Gao, Honghui Shang, Fang Li, Zhiqian Xu, Xin Liu, Dexun Chen:
Increasing the Efficiency of Massively Parallel Sparse Matrix-Matrix Multiplication in First-Principles Calculation on the New-Generation Sunway Supercomputer. IEEE Trans. Parallel Distributed Syst. 33(12): 4752-4766 (2022) - [c6]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, Zhenyu Li:
Large-Scale Simulation of Quantum Computational Chemistry on a New Sunway Supercomputer. SC 2022: 14:1-14:14 - 2021
- [j5]Honghui Shang, WanZhen Liang, Yunquan Zhang, Jinlong Yang:
Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory. Comput. Phys. Commun. 258: 107613 (2021) - [j4]Honghui Shang, Xiaohui Duan, Fang Li, Libo Zhang, Zhiqian Xu, Kan Liu, Haiwen Luo, Yingrui Ji, Wenxuan Zhao, Wei Xue, Li Chen, Yunquan Zhang:
Many-core acceleration of the first-principles all-electron quantum perturbation calculations. Comput. Phys. Commun. 267: 108045 (2021) - [c5]Honghui Shang, Fang Li, Yunquan Zhang, Libo Zhang, You Fu, Yingxiang Gao, Yangjun Wu, Xiaohui Duan, Rongfen Lin, Xin Liu, Ying Liu, Dexun Chen:
Extreme-scale ab initio quantum raman spectra simulations on the leadership HPC system in China. SC 2021: 6 - [c4]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, Dexun Chen:
Accelerating all-electron ab initio simulation of raman spectra for biological systems. SC 2021: 41 - [c3]Honghui Shang, Xin Chen, Xingyu Gao, Rongfen Lin, Lifang Wang, Fang Li, Qian Xiao, Lei Xu, Qiang Sun, Leilei Zhu, Fei Wang, Yunquan Zhang, Haifeng Song:
TensorKMC: kinetic Monte Carlo simulation of 50 trillion atoms driven by deep learning on a new generation of Sunway supercomputer. SC 2021: 73 - [c2]Fang Li, Xin Liu, Yong Liu, Pengpeng Zhao, Yuling Yang, Honghui Shang, Weizhe Sun, Zhen Wang, Enming Dong, Dexun Chen:
SW_Qsim: a minimize-memory quantum simulator with high-performance on a new Sunway supercomputer. SC 2021: 98 - 2020
- [j3]Honghui Shang, Lei Xu, Baodong Wu, Xinming Qin, Yunquan Zhang, Jinlong Yang:
The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package. Comput. Phys. Commun. 254: 107204 (2020) - [j2]Xinming Qin, Honghui Shang, Lei Xu, Wei Hu, Jinlong Yang, Shigang Li, Yunquan Zhang:
The static parallel distribution algorithms for hybrid density-functional calculations in HONPAS package. Int. J. High Perform. Comput. Appl. 34(2) (2020)
2010 – 2019
- 2019
- [c1]Kun Li, Honghui Shang, Yunquan Zhang, Shigang Li, Baodong Wu, Dong Wang, Libo Zhang, Fang Li, Dexun Chen, Zhiqiang Wei:
OpenKMC: a KMC design for hundred-billion-atom simulation using millions of cores on Sunway Taihulight. SC 2019: 68:1-68:16 - 2017
- [j1]Honghui Shang, Christian Carbogno, Patrick Rinke, Matthias Scheffler:
Lattice dynamics calculations based on density-functional perturbation theory in real space. Comput. Phys. Commun. 215: 26-46 (2017)
Coauthor Index
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