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Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates

Paper Publications

[1] W. Liu*, Unified construction of relativistic Hamiltonians, J. Chem. Phys. 2024, 160, 084111.
[2] 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.
[3] Z. Wang, C. Wu*, and W. Liu*, Toward the Rational Design of Organic Catalysts for Organocatalysed Atom Transfer Radical Polymer..., Polymers 2024, 16, 323.
[4] W. Liu*, Perspective: Simultaneous treatment of relativity, correlation, and QED, WIREs Comput Mol Sci. 2022, 13, e1652.
[5] X. Ji, R. Wang, H. Wang*, and W. Liu, On committor functions in milestoning, J. Chem. Phys. 2023, 159, 244115.
[6] 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 Ti..., in Comprehensive Computational Chemistry (Elsevier, 2023) 2023, 3, 229-257.
[7] 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.
[8] 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.
[9] 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.
[10] 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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