Zhigang Shuai

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 49

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

Journal of the American Chemical Society

Nature communications

Tsinghua University

Fudan University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Tsinghua University

China

Changjiang Chair Professor :: Department of Chemistry

Institute of Chemistry Chinese Academy of Sciences

China

Research Professor :: Key Laboratory of Organic Solids

Education History

Fudan University

China

PHD :: department of physics

Jinan University

China

MSC :: Department of Physics

Sun Yat-Sen University Sep 01 1979 - Jul 10 1983

China

BSC :: Department of Physics

Publications

Zirui Sheng, Tong Jiang, Weitang Li, Zhigang Shuai
TD-DMRG Study of Exciton Dynamics with both Thermal and Static Disorders for Fenna-Matthews-Olson Complex. Journal of chemical theory and computation 20 (15) (2024)
Zirui Sheng, Tong Jiang, Weitang Li, Zhigang Shuai
TD-DMRG Study of Exciton Dynamics with both Thermal and Static Disorders for Fenna-Matthews-Olson Complex. Journal of chemical theory and computation (2024)
Weitang Li, Jonathan Allcock, Lixue Cheng, Shi-Xin Zhang, Yu-Qin Chen, Jonathan P Mailoa, Zhigang Shuai, Shengyu Zhang
TenCirChem: An Efficient Quantum Computational Chemistry Package for the NISQ Era. Journal of chemical theory and computation (2023)
Bin Zhang, Zhigang Shuai
Quantum Dynamical Approach to Predicting the Optical Pumping Threshold for Lasing in Organic Materials. The journal of physical chemistry letters (2023)
Tong Jiang, Jiajun Ren, Zhigang Shuai
Unified Definition of Exciton Coherence Length for Exciton-Phonon Coupled Molecular Aggregates. The journal of physical chemistry letters 14 (19) (2023)
Zhigang Shuai
Faster holes by delocalization. Nature materials (2023)
Yuanheng Wang, Jiajun Ren, Zhigang Shuai
Minimizing non-radiative decay in molecular aggregates through control of excitonic coupling. Nature communications 14 (1) (2023)
Hengrui Yang, Weitang Li, Jiajun Ren, Zhigang Shuai
Time-Dependent Density Matrix Renormalization Group Method for Quantum Transport with Phonon Coupling in Molecular Junction. Journal of chemical theory and computation (2023)
Tong Jiang, Jiajun Ren, Zhigang Shuai
Unified Definition of Exciton Coherence Length for Exciton-Phonon Coupled Molecular Aggregates. The journal of physical chemistry letters (2023)
Yufei Ge, Weitang Li, Jiajun Ren, Zhigang Shuai
Computational Method for Evaluating the Thermoelectric Power Factor for Organic Materials Modeled by the Holstein Model: A Time-Dependent Density Matrix Renormalization Group Formalism. Journal of chemical theory and computation 18 (11) (2022)
Yuanheng Wang, Jiajun Ren, Weitang Li, Zhigang Shuai
Hybrid Quantum-Classical Boson Sampling Algorithm for Molecular Vibrationally Resolved Electronic Spectroscopy with Duschinsky Rotation and Anharmonicity. The journal of physical chemistry letters 13 (28) (2022)
Bin Zhang, Zhigang Shuai
Detuning Effects on the Reverse Intersystem Crossing from Triplet Exciton to Lower Polariton. The journal of physical chemistry letters 13 (40) (2022)
Weitang Li, Jiajun Ren, Hengrui Yang, Zhigang Shuai
On the fly swapping algorithm for ordering of degrees of freedom in density matrix renormalization group. Journal of physics. Condensed matter : an Institute of Physics journal 34 (25) (2022)
Jingyao Chen, Xiaoxiao Xiao, Shuai Li, Yuai Duan, Guo Wang, Yi Liao, Qian Peng, Hongbing Fu, Hua Geng, Zhigang Shuai
A Novel Strategy toward Thermally Activated Delayed Fluorescence from a Locally Excited State. The journal of physical chemistry letters 13 (11) (2022)
Weitang Li, Zigeng Huang, Chang-Su Cao, Yifei Huang, Zhigang Shuai, Xiaoming Sun, Jinzhao Sun, Xiao Yuan, Dingshun Lv
Toward practical quantum embedding simulation of realistic chemical systems on near-term quantum computers. Chemical science 13 (31) (2022)
Qi Sun, Yishi Wu, Yuanyuan Cui, Can Gao, Qi Ou, Deping Hu, Lu Wang, Yue Wang, Huanli Dong, Jianzhang Zhao, Chunfeng Zhang, Zhigang Shuai, Hongbing Fu, Qian Peng
Molecular design of DBA-type five-membered heterocyclic rings to achieve 200% exciton utilization for electroluminescence. Materials horizons 9 (10) (2022)
Yu Wang, Qian Peng, Zhigang Shuai
A computational scheme for evaluating the phosphorescence quantum efficiency: applied to blue-emitting tetradentate Pt(II) complexes. Materials horizons (2021)
Yifan Yao, Qi Ou, Kuidong Wang, Haijun Peng, Feier Fang, Yumeng Shi, Ye Wang, Daniel Iglesias Asperilla, Zhigang Shuai, Paolo Samorì
Supramolecular engineering of charge transfer in wide bandgap organic semiconductors with enhanced visible-to-NIR photoresponse. Nature communications 12 (1) (2021)
Shiyun Lin, Qi Ou, Yu Wang, Qian Peng, Zhigang Shuai
Aggregation-Enhanced Thermally Activated Delayed Fluorescence Efficiency for Two-Coordinate Carbene-Metal-Amide Complexes: A QM/MM Study. The journal of physical chemistry letters 12 (11) (2021)
Mengshi Wang, Yuanheng Wang, Renjian Hu, Jinying Yuan, Mei Tian, Xiaoyong Zhang, Zhigang Shuai, Yen Wei
Intrinsic hydroquinone-functionalized aggregation-induced emission core shows redox and pH sensitivity. Communications chemistry 4 (1) (2021)
Renjian Hu, Shiyun Lin, Mengshi Wang, Ruoxin Li, Zhigang Shuai, Yen Wei
Catechol Moiety Integrated Tri-Aryl Type AIEgen for Visual and Quantitative Boronic Acid Detection. Chemistry (Weinheim an der Bergstrasse, Germany) (2021)
Xin Feng, Xingliang Peng, Baixin Peng, Zexin Li, Wentao Huang, Sijie Yang, Ke Pei, Zongdong Sun, Fuqiang Huang, Huiqiao Li, Zhigang Shuai, Tianyou Zhai
Effect of Strong Intermolecular Interaction in 2D Inorganic Molecular Crystals. Journal of the American Chemical Society 143 (48) (2021)
Weitang Li, Jiajun Ren, Zhigang Shuai
A general charge transport picture for organic semiconductors with nonlocal electron-phonon couplings. Nature communications 12 (1) (2021)
Mengshi Wang, Yuanheng Wang, Renjian Hu, Jinying Yuan, Mei Tian, Xiaoyong Zhang, Zhigang Shuai, Yen Wei
Intrinsic hydroquinone-functionalized aggregation-induced emission core shows redox and pH sensitivity. Communications chemistry 4 (1) (2021)
Meihui Liu, Yuling Wei, Qi Ou, Peiyi Yu, Guo Wang, Yuai Duan, Hua Geng, Qian Peng, Zhigang Shuai, Yi Liao
Molecular Design Strategy for Simultaneously Strong Luminescence and High Mobility: Multichannel CH-π Interaction. The journal of physical chemistry letters 12 (2) (2021)
Zheng Pei, Qi Ou, Yuezhi Mao, Junjie Yang, Aurélien de la Lande, Felix Plasser, WanZhen Liang, Zhigang Shuai, Yihan Shao
Elucidating the Electronic Structure of a Delayed Fluorescence Emitter via Orbital Interactions, Excitation Energy Components, Charge-Transfer Numbers, and Vibrational Reorganization Energies. The journal of physical chemistry letters 12 (11) (2021)
Qi Sun, Jiajun Ren, Tong Jiang, Qian Peng, Qi Ou, Zhigang Shuai
Intermolecular Charge-Transfer-Induced Strong Optical Emission from Herringbone H-Aggregates. Nano letters 21 (12) (2021)
Lu Wang, Qi Ou, Qian Peng, Zhigang Shuai
Theoretical Characterizations of TADF Materials: Roles of ΔG and the Singlet-Triplet Excited States Interconversion. The journal of physical chemistry. A 125 (7) (2021)
Qi Ou, Yihan Shao, Zhigang Shuai
Enhanced Reverse Intersystem Crossing Promoted by Triplet Exciton-Photon Coupling. Journal of the American Chemical Society 143 (42) (2021)
Tong Jiang, Jiajun Ren, Zhigang Shuai
Chebyshev Matrix Product States with Canonical Orthogonalization for Spectral Functions of Many-Body Systems. The journal of physical chemistry letters 12 (38) (2021)
Leixin Xiao, Zhiwei Wang, Chun-Feng Zhang, Xiaoyu Xie, Hai-Bo Ma, Qian Peng, Zhongfu An, Xiaoyong Wang, Zhigang Shuai, Min Xiao
Long Persistent Luminescence Enabled by Dissociation of Triplet Intermediate States in an Organic Guest/Host System. The journal of physical chemistry letters 11 (9) (2020)
Tong Jiang, Weitang Li, Jiajun Ren, Zhigang Shuai
Finite Temperature Dynamical Density Matrix Renormalization Group for Spectroscopy in Frequency Domain. The journal of physical chemistry letters 11 (10) (2020)
Qi Ou, Qian Peng, Zhigang Shuai
Toward Quantitative Prediction of Fluorescence Quantum Efficiency by Combining Direct Vibrational Conversion and Surface Crossing: BODIPYs as an Example. The journal of physical chemistry letters 11 (18) (2020)
Yue Zheng, Yiwen Ding, Jiajun Ren, Yu Xiang, Zhigang Shuai, Aijun Tong
Simultaneously and Selectively Imaging a Cytoplasm Membrane and Mitochondria Using a Dual-Colored Aggregation-Induced Emission Probe. Analytical chemistry 92 (21) (2020)
Qian Peng, Hui-Li Ma, Zhigang Shuai
Theory of Long-Lived Room-Temperature Phosphorescence in Organic Aggregates. Accounts of chemical research 54 (4) (2020)
Weitang Li, Jiajun Ren, Zhigang Shuai
Finite-Temperature TD-DMRG for the Carrier Mobility of Organic Semiconductors. The journal of physical chemistry letters 11 (13) (2020)
Dan Liu, Jianbo De, Haikuo Gao, Suqian Ma, Qi Ou, Shuai Li, Zhengsheng Qin, Huanli Dong, Qing Liao, Bin Xu, Qian Peng, Zhigang Shuai, Wenjing Tian, Hongbing Fu, Xiaotao Zhang, Yonggang Zhen, Wenping Hu
Organic Laser Molecule with High Mobility, High Photoluminescence Quantum Yield, and Deep-Blue Lasing Characteristics. Journal of the American Chemical Society 142 (13) (2020)
Qi Ou, Qian Peng, Zhigang Shuai
Computational screen-out strategy for electrically pumped organic laser materials. Nature communications 11 (1) (2020)
Weitang Li, Jiajun Ren, Zhigang Shuai
Numerical assessment for accuracy and GPU acceleration of TD-DMRG time evolution schemes. The Journal of chemical physics 152 (2) (2020)
Shiyun Lin, Qian Peng, Qi Ou, Zhigang Shuai
Strong Solid-State Fluorescence Induced by Restriction of the Coordinate Bond Bending in Two-Coordinate Copper(I)-Carbene Complexes. Inorganic chemistry 58 (21) (2019)
Hui-Li Ma, Qian Peng, Zhongfu An, Wei Huang, Zhigang Shuai
Efficient and Long-Lived Room-Temperature Organic Phosphorescence: Theoretical Descriptors for Molecular Designs. Journal of the American Chemical Society 141 (2) (2019)
Bowen Li, Yanbin Gong, Lu Wang, Hang Lin, Qianqian Li, Fengyun Guo, Qianqian Li, Qian Peng, Zhigang Shuai, Liancheng Zhao, Yong Zhang
Highly Efficient Organic Room-Temperature Phosphorescent Luminophores through Tuning Triplet States and Spin-Orbit Coupling with Incorporation of a Secondary Group. The journal of physical chemistry letters 10 (22) (2019)
Yunpeng Liu, Wen Shi, Tianqi Zhao, Dong Wang, Zhigang Shuai
Boosting the Seebeck Coefficient for Organic Coordination Polymers: Role of Doping-Induced Polaron Band Formation. The journal of physical chemistry letters 10 (10) (2019)
Yuqian Jiang, Hua Geng, Weitang Li, Zhigang Shuai
Understanding Carrier Transport in Organic Semiconductors: Computation of Charge Mobility Considering Quantum Nuclear Tunneling and Delocalization Effects. Journal of chemical theory and computation 15 (3) (2019)
Hui-Li Ma, Hongde Yu, Qian Peng, Zhongfu An, Dong Wang, Zhigang Shuai
Hydrogen Bonding-Induced Morphology Dependence of Long-Lived Organic Room-Temperature Phosphorescence: A Computational Study. The journal of physical chemistry letters 10 (21) (2019)
Jiajun Ren, Zhigang Shuai, Garnet Kin-Lic Chan
Time-Dependent Density Matrix Renormalization Group Algorithms for Nearly Exact Absorption and Fluorescence Spectra of Molecular Aggregates at Both Zero and Finite Temperature. Journal of chemical theory and computation 14 (10) (2018)
Zhen Wang, Xiangwei Zhu, Jianqi Zhang, Kun Lu, Jin Fang, Yajie Zhang, Zaiyu Wang, Lingyun Zhu, Wei Ma, Zhigang Shuai, Zhi-Xiang Wei
From Alloy-Like to Cascade Blended Structure: Designing High-Performance All-Small-Molecule Ternary Solar Cells. Journal of the American Chemical Society 140 (4) (2018)
Jiajun Ren, Qian Peng, Xu Zhang, Yuan-Ping Yi, Zhigang Shuai
Role of the Dark 2Ag State in Donor-Acceptor Copolymers as a Pathway for Singlet Fission: A DMRG Study. The journal of physical chemistry letters 8 (10) (2017)
Zhen Wang, Lingyun Zhu, Zhigang Shuai, Zhi-Xiang Wei
A-π-D-π-A Electron-Donating Small Molecules for Solution-Processed Organic Solar Cells: A Review. Macromolecular rapid communications 38 (22) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Zhigang Shuai