Zhigang Shuai

China Three Gorges Corporation (China) — China

Engineering · Physical Sciences

99h-index37.0kcitations629works2.72yr avg
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Research Topics

Organic Electronics and Photovoltaics(176), Organic Light-Emitting Diodes Research(145), Luminescence and Fluorescent Materials(121), Conducting polymers and applications(111), Molecular Junctions and Nanostructures(102)

Publications629 total

Computational protocol for emission spectra and PLQY for thermally activated delayed fluorescence derived from sulfur/selenium-incorporated multi-resonant molecules
The Journal of Chemical Physics·2025
Measurement-efficient ADAPT-VQE with the SOAP parameter optimizer
The Journal of Chemical Physics·2025
A fast thermo-mechanical model for full-scale external molten salt receivers
Applied Thermal Engineering·2025
A Molecular Descriptor Guided Asymmetric Strategy for High Carrier‐Mobility Light‐Emitting Organic Semiconductors
Aggregate·2025Open Access
Investigation of novel synthesis of zeolite omega via hydroxyl radical-assisted magadiite transformation
Journal of Solid State Chemistry·2025
Hierarchical Equations of Motion in Matrix Product States: Formalism and Applications for Charge Transport
Journal of Chemical Theory and Computation·2025
Symmetry‐Engineered Ultralong Phosphorescence in Double π‐Helical Nanographenes
Angewandte Chemie International Edition·2025· 2 cited
Symmetry‐Engineered Ultralong Phosphorescence in Double π‐Helical Nanographenes
Angewandte Chemie·2025
Sequence noise and vibration optimization based on frequency response function
Proceedings on CD-ROM - International Society for Magnetic Resonance in Medicine. Scientific Meeting and Exhibition/Proceedings of the International Society for Magnetic Resonance in Medicine, Scientific Meeting and Exhibition·2025
Theoretical Design of Heavy-Atom Embedded ICz-Based Multi-resonance TADF Emitters with High Efficiency and Narrow Emission Width
The Journal of Physical Chemistry Letters·2025· 1 cited
Quantum Theory and Quantum Chemistry: Past, Present and Future
Chemistry International·2025Open Access
Effect of Excitonic Coupling and Disorder on Nonradiative Decay of Molecular Aggregates: A TD-DMRG Study
The Journal of Physical Chemistry C·2025· 1 cited
Closed-Loop AI Enables Organic Continuous-Wave Laser
2025Open Access
Quantum Computer Simulation of Molecules in Optical Cavity
Precision Chemistry·2025· 2 citedOpen Access
Predicting σ<sup>0</sup>π<sup>2</sup> Carbene-Mediated Hydroboration and Bis-carbene Functionalization of Dinitrogen
Inorganic Chemistry·2025· 1 cited
Computational Design Strategy for Aggregation-Induced Emission Luminogens: Modulating the S<sub>1</sub>/S<sub>0</sub> Minimum Energy Conical Intersection of Anthracene Derivatives through Substituent Effects
Journal of Chemical Theory and Computation·2025
Effect of excitonic coupling and disorder on nonradiative decay of molecular aggregates: a TD-DMRG study
2025Open Access
Inside Front Cover: Excited State Structure and Decay Rates for Aggregates
Aggregate·2025Open Access
A Dual-Layer Dispatch Framework for Concentrated Solar Power Systems Considering Molten Salt Thermodynamics
2025
First-Principles Prediction for Phosphorescence Spectra of Tetradentate Platinum(II) Complexes with Narrow Emission Width
The Journal of Physical Chemistry A·2025· 4 cited
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Frequent Co-authors

Qian Peng(22), Dong Wang(9), Huili Ma(8), Jean‐Luc Brédas(8), Daoben Zhu(7), David Beljonne(7), Ben Zhong Tang(6), Xiaodi Yang(6), Yuanping Yi(5), Yingli Niu(5), Linjun Wang(5), Jacky W. Y. Lam(4), Jinyang Xi(4), Yunqi Liu(4), Hua Geng(4), Wei Xu(4), Mengqiu Long(3), Weijun Zhao(3), Zikai He(3), Shiwei Yin(3)