Personal Information
Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates
Paper Publications
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[1]
B. Wang,
S. Luo,
Z. Wang*,
and W. Liu*,
O1NumHess: A Fast and Accurate Seminumerical Hessian Algorithm Using Only O(1) Gradients,
J. Chem. Theory Comput.
2025,
21,
10893−10909.
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[2]
H. Liu,
S. Guan,
Z. Wang,
Z. Zhou*,
Z. Qu*,
and W. Liu*,
Machine Learned Fock Matrix,
JACS Au
2025,
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[3]
B. Wang,
X. Liu,
Z. L. Wang*,
C. Wu*,
Z. K. Wang*,
and W. Liu,
Structural Origin of the Fast Polymerization Rates and Monomer Universality of Pyrazole-Based Pho...,
Molecules
2025,
30,
3687.
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[4]
N. Zhang,
Q. Wang,
and W. Liu*,
MetaWave:A Platform for Unified Implementation of Nonrelativistic and Relativistic Wave Functions,
J. Phys. Chem. A
2025,
129,
5170-5188.
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[5]
Y. Wang,
W. Yang,
W. Shi,
W. Liu*,
and Q. Xu*,
Exhaustive screening of high-fold degenerate topological semimetal with chiral structure,
npj Computational Materials
2025,
11,
120.
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[6]
X. He,
W. Liu*,
and S. Liu*,
Using Energetic Information Quantities from Density Functional Theory to Simultaneously Identify...,
ChemPhysChem
2025,
e202401068,
10.1002/cphc.202401068.
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[7]
X. Ji,
H. Wang*,
and W. Liu,
Experiment-Guided Refinement of Milestoning Network,
J. Chem. Theory Comput.
2025,
21,
1078-1088.
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[8]
Y. Song,
N. Zhang,
Y. Lei,
Y. Guo,
and W. Liu*,
QUEST#4X:AnExtensionofQUEST#4forBenchmarking Multireference Wave Function Methods,
J. Chem. Theory Comput.
2025,
21,
1119-1135.
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[9]
杨惠娟,
朱倚天,
郭阳,
and 刘文剑*,
YbO 电子结构的高精度从头算理论研究,
科学通报
2025,
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[10]
Y. Zhang,
R. Lei,
B. Suo*,
and W. Liu*,
Accelerating Fock Build via Hybrid Analytical-Numerical Integration,
J. Phys. Chem. A.
2025,
129,
1492-1503.