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Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates

Paper Publications

[1] 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.
[2] X. Ji, H. Wang*, and W. Liu, Experiment-Guided Refinement of Milestoning Network, J. Chem. Theory Comput. 2025, 21, 1078-1088.
[3] 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.
[4] 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,
[5] 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.
[6] Y. Lei*, Y. Guo, B. Suo, and W. Liu*, SDSPT2s:SDSPT2 with Selection, J. Chem. Theory Comput. 2025, 21, 1259-1275.
[7] 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.
[8] X. He, T. Lu, C. Rong, W. Liu*, P. Ayers*, and S. Liu*, Energetic Information from Information-Theoretic Approach in Density Functional Theory as Quantit..., J. Chem. Theory Comput. 2024, 20, 6049-6061.
[9] 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.
[10] 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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