Personal Information
Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates
Paper Publications
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[1]
W. Liu*,
On the Bottom-Up Construction of Many-Electron Relativistic QED Hamiltonian,
International Journal ofQuantum Chemistry
2026,
126:e70277,
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[2]
Y. Zhao,
H. Wang,
Y. Lei,
N. Zhang,
W. Liu*,
Z. Wang*,
and X. Zhang*,
Nuclear Quantum Effects Matter: Zero-Point Energy Governs the Chemoselectivity of Desaturation ov...,
ACS Catal.
2026,
https://doi.org/10.1021/acscatal.6c04658.
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[3]
L. Ye,
H. Wang*,
Y. Zhang,
and W. Liu*,
AutoSTOP-RT-TDDFT: Adaptive and Selected Real-Time Time-Dependent Density Functional Theory for S...,
Journal of Computational Chemistry
2026,
47,
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[4]
Y. Wang,
H. Yu,
Q. Xu*,
and W. Liu,
Hydrogen evolution electrocatalysts in high-fold degenerate topological semimetals with chiral st...,
Communications Chemistry
2026,
9,
184.
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[5]
C. Liu,
N. Zhang,
and W. Liu*,
PASPT2: A Size-Extensive and Size-Consistent Partial-Active-Space Multistate Multireference Secon...,
Precis. Chem.
2026,
4,
997-1015.
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[6]
Q. Wang,
N. Zhang*,
and W. Liu*,
Unified MPI Parallelization of Wave Function Methods: iCIPT2 as a Showcase,
J. Chem. Theory Comput.
2026,
https://doi.org/10.1021/acs.jctc.6c00215.
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[7]
H. Xie,
Z. Qu*,
H. Liu,
Z. Zhou,
and W. Liu,
Theoretical investigation of the excited-state dynamics in the CH4 + O(3P) → CH3 + OH reaction,
J. Chem. Phys.
2026,
164,
034107.
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[8]
X. Wang,
J. Jin,
C. Chen,
Z. Wang*,
Y. Lei*,
X. Huang*,
Y. Guo*,
and W. Liu,
Mechanistic understanding of room temperature phosphorescence in pure organic host–guest systems...,
J. Mater. Chem. C
2026,
14,
1236–1243.
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[9]
X. He,
W. Liu*,
P. Ayers*,
and S. Liu*,
Distinguishing Aromaticity from Antiaromaticity with Information- Theoretic and Energetic Informa...,
J. Phys. Chem. A
2025,
129,
11820−11833.
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[10]
X. Bai,
Y. Wang,
W. Yang,
Q. Xu*,
and W. Liu,
Magnetic topological Weyl fermions in half-metallic In2CoSe4,
J. Phys.: Condens. Matter
2025,
37,
115701.