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Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates

Paper Publications

[21] 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.
[22] 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.
[23] 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.
[24] J. Li, C. Wu*, Y. Lei, and W. Liu*, Tuning Catalyst-Free Photocontrolled Polymerization by Substitution: A Quantitative and Qualitati..., J. Phys. Chem. Lett. 2022, 13, 3290-3296.
[25] 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 Photocat..., Chem. Rev. 2022, 122, 5476−5518.
[26] N. Zhang, Y. Xiao, and W. Liu*, SOiCI and iCISO: combining iterative configuration interaction with spin–orbit coupling in two w..., J. Phys.: Condens. Matter 2022, 34, 224007.
[27] Y. Guo, N. Zhang, Y. Lei, and W. Liu*, iCISCF: An Iterative Configuration Interaction-Based Multiconfigurational Self-Consistent Field T..., J. Chem. Theory Comput. 2021, 17, 7545-7561.
[28] Y. Song, Y. Guo, Y. Lei, N. Zhang, and W. Liu*, The Static–Dynamic–Static Family of Methods for Strongly Correlated Electrons: Methodology and ..., Topics in Current Chemistry. 2021, 379, 43.
[29] Z. Wang, C. Wu, and W. Liu*, NAC-TDDFT: Time-Dependent Density Functional Theory for Nonadiabatic Couplings, Acc. Chem. Res. 2021, 54, 3288-3297.
[30] Z. Wang and W. Liu *, iOI: An Iterative Orbital Interaction Approach for Solving the SelfConsistent Field Problem, J. Chem. Theory Comput. 2021, 17, 4831-4845.

total171 3/18

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