Professor, Xiamen University, China (2012.02-- )

Professor, University of Science and Technology of China, China (2003,9--2012.01)

Post-Doctor, University of California, Berkeley, USA (2001.02—2003.08)

Ph.D., The University of Hong Kong (2001)

M.Sc., Sichuan University (1990)

B.Sc., Southwest University (1987)

Theoretical and computational chemistry;

Electronic structure theory & software;

Electronic spectra and dynamics of complex systems;

Computational material sciences

(1) Y. Wang; S. S. Feng; W. Z. Liang; Y. Zhao; Electronic couplings for photoinduced charge transfer and excitation energy transfer based on fragment particle–hole densities. J. Phys. Chem. Lett.  2021, 12(3): 1032-1039.
(2) Z. Pei, et.al.; Elucidating the Electronic Structure of a Delayed Fluorescence Emitter via Orbital Interactions, Excitation Energy Components, Charge-Transfer Numbers, and Vibrational Reorganization Energies. J. Phys. Chem. Lett. 2021, 12, 11, 2712–2720
(3) S. R. Lin, Z. Pei, B. Zhang, H Ma, W. Z. Liang; Vibronic Coupling Effect on the Vibrationally Resolved Electronic Spectra and Intersystem Crossing Rates of a TADF Emitter: 7-PhQAD.  J. Phys. Chem. A, 2022, 126, 2, 239–248
(4) Q. Liu, A. Li, W. Chu, O. V. Prezhdo, W. Z. Liang; Influence of intrinsic defects on the structure and dynamics of the mixed Pb–Sn perovskite: first-principles DFT and NAMD simulations. J. Mater. Chem. A 2022,10, 234-244
(5) B. Zhang, Y. Zhao and W. Z. Liang; Joint Effects of Exciton–Exciton and Exciton–Photon Couplings on the Singlet Fission Dynamics in Organic Aggregates. J. Phys. Chem. C 2021, 125, 3, 1654–1664
(6) J. Sun, Z. Ding, Y. Yu and W. Z. Liang, Nonlinear features of Fano resonance: a QM/EM study. Phys. Chem. Chem. Phys. 2021, 23, 15994-16004.
(7) B. Zhang; W. Z. Liang; The Vibronic Absorption Spectra and Exciton Dynamics of Plasmon-Exciton Hybrid Systems in the Regimes Ranged from Fano Antiresonance to Rabi-like Splitting. J. Chem. Phys. 2020, 152: 014102.
(8) H. Zang; Y. Zhao; W. Z. Liang; Quantum interference in singlet fission: J- and H-aggregate behavior, J. Phys. Chem. Lett. 2017, 8(20): 5105-5112.
(9) L. Zhang, W. Z. Liang; How the Structures and Properties of Two-Dimensional Layered Perovskites MAPbl(3) and CsPbl(3) Vary with the Number of Layers, J. Phys. Chem. Lett. 2017, 8(7)：1517-1523.
(10)  Q. Zeng, and. W. Z. Liang; Analytic energy gradient of excited electronic state within TDDFT/MMpol framework: Benchmark tests and parallel implementation, J. Chem. Phys. 2015, 143, 134104.
(11)  M. Ju, X. Wang, W. Z. Liang, Y. Zhao and C. Li; Tuning the energy band-gap of crystalline gallium oxide to enhance photocatalytic water splitting: mixed-phase junctions. J. Mater. Chem. A, 2014,2, 17005-17014  
(12)  H. Ma, J. Liu, W. Z. Liang; Time-Dependent Approach to Resonance Raman Spectra Including Duschinsky Rotation and Herzberg–Teller Effects: Formalism and Its Realistic Applications. J. Chem. Theory & Comput. 2012, 8, 11, 4474–4482.
(13)  Y. Zhao; W. Z. Liang; Charge transfer in organic molecules for solar cells: theoretical perspective, Chem. Soc. Rev. 2012, 41(3): 1075-1087.
(14)  J. Liu; W. Z. Liang; Analytical approach for the excited-state Hessian in time-dependent density functional theory: Formalism, implementation, and performance, J. Chem. Phys. 2011, 135(18): 184111.
(15)  F. Gao, Y. Zhao, W. Z. Liang; Vibronic Spectra of Perylene Bisimide Oligomers: Effects of Intermolecular Charge-Transfer Excitation and Conformational Flexibility. J. Phys. Chem. B 2011, 115(12):2699-708
(16)  J. Sun, J. Song, Y. Zhao and W. Z. Liang, Real-time propagation of the reduced one-electron density matrix in atom-centered Gaussian orbitals: Application to absorption spectra of silicon clusters. J. Chem. Phys. 2007, 127, 234107.