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Honghui Shang
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Evidence for photogenerated intermediate hole polarons in ZnO
H Sezen, H Shang, F Bebensee, C Yang, M Buchholz, A Nefedov, ...
Nature communications 6 (1), 1-5, 2015
572015
Ultrafast multiphoton pump-probe photoemission excitation pathways in rutile TiO 2 (110)
A Argondizzo, X Cui, C Wang, H Sun, H Shang, J Zhao, H Petek
Physical Review B 91 (15), 155429, 2015
472015
Lattice dynamics calculations based on density-functional perturbation theory in real space
H Shang, C Carbogno, P Rinke, M Scheffler
Computer Physics Communications 215, 26-46, 2017
402017
HONPAS: A linear scaling open‐source solution for large system simulations
X Qin, H Shang, H Xiang, Z Li, J Yang
International Journal of Quantum Chemistry 115 (10), 647-655, 2015
292015
Linear scaling electronic structure calculations with numerical atomic basis set
H Shang, H Xiang, Z Li, J Yang
International Reviews in Physical Chemistry 29 (4), 665-691, 2010
292010
All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT
H Shang, N Raimbault, P Rinke, M Scheffler, M Rossi, C Carbogno
New Journal of Physics 20 (7), 073040, 2018
282018
Implementation of screened hybrid density functional for periodic systems with numerical atomic orbitals: Basis function fitting and integral screening
H Shang, Z Li, J Yang
The Journal of chemical physics 135 (3), 034110, 2011
262011
Implementation of exact exchange with numerical atomic orbitals
H Shang, Z Li, J Yang
The Journal of Physical Chemistry A 114 (2), 1039-1043, 2010
232010
Li/MgO Catalysts Doped with Alio‐valent Ions. Part II: Local Topology Unraveled by EPR/NMR and DFT Modeling
U Simon, S Alarcón Villaseca, H Shang, SV Levchenko, S Arndt, ...
ChemCatChem 9 (18), 3597-3610, 2017
112017
Influence of high-energy local orbitals and electron-phonon interactions on the band gaps and optical absorption spectra of hexagonal boron nitride
T Shen, XW Zhang, H Shang, MY Zhang, X Wang, EG Wang, H Jiang, ...
Physical Review B 102 (4), 045117, 2020
102020
OpenKMC: a KMC design for hundred-billion-atom simulation using millions of cores on Sunway Taihulight
K Li, H Shang, Y Zhang, S Li, B Wu, D Wang, L Zhang, F Li, D Chen, ...
Proceedings of the International Conference for High Performance Computing …, 2019
92019
Controlled synthesis and Raman study of a 2D antiferromagnetic P-type semiconductor: α-MnSe
N Li, L Zhu, H Shang, F Wang, Y Zhang, Y Yao, J Wang, X Zhan, F Wang, ...
Nanoscale 13 (14), 6953-6964, 2021
82021
Extreme-scale ab initio quantum raman spectra simulations on the leadership HPC system in China
H Shang, F Li, Y Zhang, L Zhang, Y Fu, Y Gao, Y Wu, X Duan, R Lin, X Liu, ...
Proceedings of the International Conference for High Performance Computing …, 2021
62021
Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory
H Shang, WZ Liang, Y Zhang, J Yang
Computer Physics Communications 258, 107613, 2021
62021
Electron-phonon coupling in -electron solids: A temperature-dependent study of rutile by first-principles theory and two-photon photoemission
H Shang, A Argondizzo, S Tan, J Zhao, P Rinke, C Carbogno, M Scheffler, ...
Physical Review Research 1 (3), 033153, 2019
52019
SW_Qsim: A minimize-memory quantum simulator with high-performance on a new sunway supercomputer
F Li, X Liu, Y Liu, P Zhao, Y Yang, H Shang, W Sun, Z Wang, E Dong, ...
Proceedings of the International Conference for High Performance Computing …, 2021
42021
TensorKMC: Kinetic monte carlo simulation of 50 trillion atoms driven by deep learning on a new generation of sunway supercomputer
H Shang, X Chen, X Gao, R Lin, L Wang, F Li, Q Xiao, L Xu, Q Sun, L Zhu, ...
Proceedings of the International Conference for High Performance Computing …, 2021
42021
The Moving-Grid Effect in the Harmonic Vibrational Frequency Calculations with Numeric Atom-Centered Orbitals
H Shang, J Yang
The Journal of Physical Chemistry A 124 (14), 2897-2906, 2020
42020
Coupled Electronic and Anharmonic Structural Dynamics for Carrier Self‐Trapping in Photovoltaic Antimony Chalcogenides
W Tao, L Zhu, K Li, C Chen, Y Chen, Y Li, X Li, J Tang, H Shang, H Zhu
Advanced Science 9 (25), 2202154, 2022
32022
Assessment of the Mass Factor for the Electron–Phonon Coupling in Solids
H Shang, J Zhao, J Yang
The Journal of Physical Chemistry C 125 (11), 6479-6485, 2021
32021
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Articles 1–20