Liang Shi
12PUBLICATIONS
18CO-AUTHORS
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Publications (12)
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|Oct 01, 2025
Unified and explainable molecular representation learning for imperfectly annotated data from the hypergraph view.Bowen Wang, Junyou Li, Donghao Zhou
|Jun 04, 2024
Axial H-Bonding Solvent Controls Inhomogeneous Spectral Broadening, While Peripheral H-Bonding Solvent Controls Vibronic Broadening: Cresyl Violet in Methanol.Christopher A Myers, Shao-Yu Lu, Sapana Shedge
|Apr 17, 2023
Incorporating Polarization and Charge Transfer into a Point-Charge Model for Water Using Machine Learning.Bowen Han, Christine M Isborn, Liang Shi
|Aug 03, 2022
Epitope alteration by small molecules and applications in drug discovery.Biyue Zhu, Jing Yang, Richard Van
|Apr 26, 2022
Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue.Ali Abou Taka, Shao-Yu Lu, Duncan Gowland
|Mar 16, 2022
Variational Quantum Simulation of Chemical Dynamics with Quantum Computers.Chee-Kong Lee, Chang-Yu Hsieh, Shengyu Zhang
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Frequent Collaborators
5 joint publications
Christine M Isborn
2 joint publications
Chongzhao Ran
2 joint publications
Chee-Kong Lee
1 joint publications
Chao Zheng
1 joint publications
Ali Abou Taka
1 joint publications
Hrant P Hratchian
1 joint publications
Christine M Isborn
1 joint publications
Biyue Zhu
1 joint publications
Changning Wang
1 joint publications
Yihan Shao
