Articles with public access mandates - Zeng-hui YangLearn more
Not available anywhere: 2
Gamma-ray irradiation-induced oxidation and disproportionation at the amorphous SiO 2/Si interfaces
D Meng, M Lan, Z Yang, S Hu, G Zhang, C Liang, H Zhan, J Liu, M Li, ...
Journal of Materials Chemistry C 8 (47), 17065-17073, 2020
Mandates: National Natural Science Foundation of China
Speed-dependent adaptive partitioning in QM/MM MD simulations of displacement damage in solid-state systems
Z Yang
Physical Chemistry Chemical Physics 23 (5), 3417-3428, 2021
Mandates: National Natural Science Foundation of China
Available somewhere: 17
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
J Sun, RC Remsing, Y Zhang, Z Sun, A Ruzsinszky, H Peng, Z Yang, ...
Nature chemistry 8 (9), 831-836, 2016
Mandates: US National Science Foundation, US Department of Energy
Versatile van der Waals density functional based on a meta-generalized gradient approximation
H Peng, ZH Yang, JP Perdew, J Sun
Physical Review X 6 (4), 041005, 2016
Mandates: US Department of Energy
Understanding band gaps of solids in generalized Kohn–Sham theory
JP Perdew, W Yang, K Burke, Z Yang, EKU Gross, M Scheffler, ...
Proceedings of the national academy of sciences 114 (11), 2801-2806, 2017
Mandates: US Department of Energy, German Research Foundation
More realistic band gaps from meta-generalized gradient approximations: Only in a generalized Kohn-Sham scheme
Z Yang, H Peng, J Sun, JP Perdew
Physical review B 93 (20), 205205, 2016
Mandates: US National Science Foundation, US Department of Energy
Full self-consistency in the Fermi-orbital self-interaction correction
Z Yang, MR Pederson, JP Perdew
Physical Review A 95 (5), 052505, 2017
Mandates: US National Science Foundation, US Department of Defense
Exact and approximate Kohn-Sham potentials in ensemble density-functional theory
Z Yang, JR Trail, A Pribram-Jones, K Burke, RJ Needs, CA Ullrich
Physical Review A 90 (4), 042501, 2014
Mandates: US Department of Energy, UK Engineering and Physical Sciences Research Council
Direct extraction of excitation energies from ensemble density-functional theory
Z Yang, A Pribram-Jones, K Burke, CA Ullrich
Physical Review Letters 119 (3), 033003, 2017
Mandates: US National Science Foundation, US Department of Energy
Excitations and benchmark ensemble density functional theory for two electrons
A Pribram-Jones, Z Yang, JR Trail, K Burke, RJ Needs, CA Ullrich
The Journal of chemical physics 140 (18), 2014
Mandates: UK Engineering and Physical Sciences Research Council
Excitons in time-dependent density-functional theory
CA Ullrich, Z Yang
Density-Functional Methods for Excited States, 185-217, 2016
Mandates: US National Science Foundation
Communication: Near-locality of exchange and correlation density functionals for 1-and 2-electron systems
J Sun, JP Perdew, Z Yang, H Peng
The Journal of Chemical Physics 144 (19), 2016
Mandates: US National Science Foundation, US Department of Energy
First-principles study of the binding energy between nanostructures and its scaling with system size
J Tao, Y Jiao, Y Mo, ZH Yang, JX Zhu, P Hyldgaard, JP Perdew
Physical Review B 97 (15), 155143, 2018
Mandates: US National Science Foundation, US Department of Energy, Swedish Research …
On-the-fly determination of active region centers in adaptive-partitioning QM/MM
Z Yang
Physical Chemistry Chemical Physics 22 (34), 19307-19317, 2020
Mandates: National Natural Science Foundation of China
Extending scaled-interaction adaptive-partitioning QM/MM to covalently bonded systems
Z Yang
Physical Chemistry Chemical Physics 22 (32), 17987-17998, 2020
Mandates: National Natural Science Foundation of China
Second-order perturbative correlation energy functional in the ensemble density-functional theory
Z Yang
Physical Review A 104 (5), 052806, 2021
Mandates: National Natural Science Foundation of China
Enhancing magnetic dipole emission in Eu-doped (): First-principles calculations
M Lan, R Wang, ZH Yang, X Wang, S Sun, SH Wei
Physical Review B 103 (24), 245201, 2021
Mandates: National Natural Science Foundation of China
The mechanism of the irradiation synergistic effect of silicon bipolar junction transistors explained by multiscale simulations of Monte Carlo and excited-state first-principle …
Z Yang, Y Liu, N An, X Chen
The Journal of Chemical Physics 159 (3), 2023
Mandates: National Natural Science Foundation of China
Speed-dependent adaptive partitioning QM/MM for displacement damage simulations
Z Yang
Mandates: National Natural Science Foundation of China
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