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个人信息Personal Information
教授 博士生导师 硕士生导师
性别：男
出生日期：1966-03-14
毕业院校：Peking University
学历：博士研究生毕业
学位：博士生
在职信息：在职
所在单位：Institute of Frontier and Interdiscipline Science
入职时间：2018-12-25
学科：理论与计算化学
办公地点：Room 314, Building K1, Qingdao Campus, Shandong University
扫描关注
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[1]
N. Zhang and W. Liu*,
Unified Implementation of Relativistic Wave Function Methods: 4C-iCIPT2 as a Showcase,
J. Chem. Theory Comput.
2024,
20,
9003-9017.
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[2]
X. He, T. Lu, C. Rong, W. Liu*, P. Ayers*, and S. Liu*,
Energetic Information from Information-Theoretic Approach in Density Functional Theory as Quantitative Measures of Physicochemical Properties,
J. Chem. Theory Comput.
2024,
20,
6049-6061.
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[3]
R. Wang, X. Ji*, H. Wang*, and W. Liu,
Kinetic Network in Milestoning: Clustering, Reduction, and Transition Path Analysis,
J. Chem. Theory Comput.
2024,
20,
5439-5450.
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[4]
Z. Wang, Z. Zhang, C. Wu*, Z. Wang*, and W. Liu*,
Pushing the Limit of Photo-Controlled Polymerization:Hyperchromic and Bathochromic Effects,
Molecules
2024,
29,
2377.
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[5]
W. Liu*,
Comment on “Theoretical examination of QED Hamiltonian in relativistic molecular orbital theory” [J. Chem. Phys. 159, 054105 (2023)],
J. Chem. Phys.
2024,
160,
187101.
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[6]
W. Liu*,
Unified construction of relativistic Hamiltonians,
J. Chem. Phys.
2024,
160,
084111.
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[7]
X. He, M. Li, Ch. R, D. Zh, W. Liu, P. Ayers, and Sh. Liu*,
Some Recent Advances in Density-Based Reactivity Theory,
J. Phys. Chem. A
2024,
1183-1196.
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[8]
Z. Wang, C. Wu*, and W. Liu*,
Toward the Rational Design of Organic Catalysts for Organocatalysed Atom Transfer Radical Polymerisation,
Polymers
2024,
16,
323.
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[9]
W. Liu*,
Perspective: Simultaneous treatment of relativity, correlation, and QED,
WIREs Comput Mol Sci.
2022,
13,
e1652.
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[10]
X. Ji, R. Wang, H. Wang*, and W. Liu,
On committor functions in milestoning,
J. Chem. Phys.
2023,
159,
244115.
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[11]
L. Ye, H. Wang, Y. Zhang, Y. Xiao, and W. Liu*,
Real-Time Time-Dependent Density Functional Theories With Large Time Step and Short Simulation Time,
in Comprehensive Computational Chemistry (Elsevier, 2023)
2023,
3,
229-257.
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[12]
X. Wang, C. Wu, Z. Wang*, and W. Liu*,
When do tripdoublet states fluoresce? A theoretical study of copper(II) porphyrin,
Frontiers in Chemistry
2023,
11,
1259016.
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[13]
Y. Guo, N. Zhang, and W. Liu*,
SOiCISCF: Combining SOiCI and iCISCF for Variational Treatment of Spin−Orbit Coupling,
J. Chem. Theory Comput.
2023,
19,
6668−6685.
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[14]
X. He, T. Lu, C. Rong, S. Liu*, P. Ayers*, and W. Liu*,
Topological analysis of information-theoretic quantities in density functional theory,
J. Chem. Phys.
2023,
159,
054112.
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[15]
R. Wang, R.Elber, W. Liu, and H. Wang*,
Approximating First Hitting Point Distribution in Milestoning for Rare Event Kinetics,
J. Chem. Theory Comput.
2023,
19,
6816−6826.
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[16]
L. Ye, H. Wang*, Y. Zhang, and W. Liu*,
Self-adaptive real-time time-dependent density functional theory for x-ray absorptions,
J. Chem. Phys.
2022,
157,
074106.
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[17]
J. Li, C. Wu*, Y. Lei, and W. Liu*,
Tuning Catalyst-Free Photocontrolled Polymerization by Substitution: A Quantitative and Qualitative Interpretation,
J. Phys. Chem. Lett.
2022,
13,
3290-3296.
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[18]
C. Wu, C. Nathaniel, L. Chern-Hooi, W. Liu*, M. Garret*, and B. Cyrille*,
Rational Design of Photocatalysts for Controlled Polymerization: Effect of Structures on Photocatalytic Activities,
Chem. Rev.
2022,
122,
5476−5518.
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[19]
N. Zhang, Y. Xiao, and W. Liu*,
SOiCI and iCISO: combining iterative configuration interaction with spin–orbit coupling in two ways,
J. Phys.: Condens. Matter
2022,
34,
224007.
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[20]
Y. Guo, N. Zhang, Y. Lei, and W. Liu*,
iCISCF: An Iterative Configuration Interaction-Based Multiconfigurational Self-Consistent Field Theory for Large Active Spaces,
J. Chem. Theory Comput.
2021,
17,
7545-7561.