Wei‐Hai Fang

Ministry of Education of the People's Republic of China — China

Physics and Astronomy · Physical Sciences

62h-index16.2kcitations615works6.12yr avg
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Research Topics

Advanced Chemical Physics Studies(123), Photochemistry and Electron Transfer Studies(121), Spectroscopy and Quantum Chemical Studies(94), Perovskite Materials and Applications(77), Atmospheric Ozone and Climate(43)

Publications615 total

Orbital-Selective Photoinduced Polaron Dynamics in Na <sub>2</sub> O <sub>2</sub> : Ultrafast Asymmetric Charge Transport Modulation in Sodium–Air Batteries
JACS Au·2025Open Access
Enhanced Surface Hopping Method for Sampling Rare Nonadiabatic Events
Journal of Chemical Theory and Computation·2025· 4 cited
A unified diagrammatic formulation of single-reference and multi-reference random phase approximations: The particle–hole and particle–particle channels
The Journal of Chemical Physics·2025
A Charge Transfer Mediated Sequential Triplet Energy Transfer Model Beyond the Dexter Limit in Organic Photocatalysis
JACS Au·2025· 1 citedOpen Access
Divergent Ring‐Opening Functionalization and Reductive Coupling of Pyridines via Zirconium Alkylidene Complexes
Angewandte Chemie International Edition·2025Open Access
Divergent Ring‐Opening Functionalization and Reductive Coupling of Pyridines via Zirconium Alkylidene Complexes
Angewandte Chemie·2025
Hybrid Tensor Network and Neural Network Quantum States for Quantum Chemistry
Journal of Chemical Theory and Computation·2025· 1 cited
Formation of Nitrile Imine in the Ground and Excited States from Photolysis of 2-<i>N</i>-Methylpyrrole-5-formylamino-tetrazole
The Journal of Physical Chemistry Letters·2025
Darwin4Matter: A Platform Integrating Machine Learning and Quantum Chemistry for New Materials Design
Chemical Research in Chinese Universities·2025
Machine Learning Parameters of Optimally Tuned Range-Separated Hybrid Functionals for Transition Metal Complexes
The Journal of Physical Chemistry Letters·2025· 3 cited
Excited-State Wave Functions and Energies Predicted by Machine Learning Based on Graph Neural Networks
Journal of Chemical Theory and Computation·2025
Influence of Additional Gaussian Noises on Mixed Quantum-Classical Nonadiabatic Dynamics Simulations of Photoisomerization of <i>cis</i>-Azobenzene
The Journal of Physical Chemistry Letters·2025· 1 cited
Anisotropic Exciton-Polariton Relaxation and Phonon Bottleneck in Microcavity-Confined Metal Halide Perovskites: Ab Initio Quantum Dynamics
Nano Letters·2025· 2 cited
One-shot simulation of static disorder in quantum dynamics with equilibrium initial state via matrix product state sampling
Chinese Journal of Chemical Physics·2025
Hybrid tensor network and neural network quantum states for quantum chemistry
arXiv (Cornell University)·2025Open Access
Photocatalytic Mechanism of Azidoarylation of Alkenes by a Cu(I) Complex: Open-Shell Singlet Is Preferred over Triplet
ACS Catalysis·2025· 4 cited
Excitation‐Dependent Quadruple‐Level Emission from an Isolated Molecule for Dynamic Information Encryption
Advanced Science·2025· 6 citedOpen Access
Machine Learning with Physically Inspired Descriptors to Predict Solvation Free Energies of Neutral and Ionic Solutes in Aqueous and Nonaqueous Solvents
The Journal of Physical Chemistry B·2025
Passivation of Hydrogen Interstitials in Metal Halide Perovskites: A Time-Domain Ab Initio Study
Journal of the American Chemical Society·2025· 4 cited
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
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Frequent Co-authors

Run Long(15), Ganglong Cui(14), Oleg V. Prezhdo(14), Xiaoying Xie(4), Shi‐Lu Chen(4), Abdullah M. Asiri(3), Li‐Ya Niu(3), Qing‐Zheng Yang(3), Xuping Sun(3), Jiajia Yang(3), Zhaosheng Zhang(3), Fahmi Himo(3), Jing Ma(3), Pin Xiao(3), Shiwei Yin(2), Qian Peng(2), Zhigang Shuai(2), Yi Luo(2), Wenkai Chen(2), Ye‐Guang Fang(2)