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Dr. Liang Wu

职位:助理研究员

研究方向:液晶材料的分子模拟和统计力学理论研究 高分子的分子力场开发和聚合反应动力学模拟 复杂化学体系的分子模拟和机器学习


Dr. Liang Wu

Email: liang.wu@sjtu.edu.cn
Address: School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai, China

Educational Background

· Ph.D. in Chemical Engineering, Imperial College London (2009-2013)

· Master's in Chemistry, East China University of Science and Technology (2006-2009)

· Bachelor's in Chemistry, Shanghai University (2002-2006)

Professional Experience

· 2018-Present: Assistant Researcher, School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University

· 2015-2018: Postdoctoral Researcher, School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University

· 2013-2015: Analyst, EVS Business Consulting

Research Interests

· Molecular simulation and statistical mechanics theory of liquid crystal materials

· Molecular force field development and polymer reaction kinetics simulation

· Molecular simulation and machine learning for complex chemical systems

Research Projects

· National Natural Science Foundation: Molecular simulation and density functional theory study of liquid crystalline poly(γ-benzyl)-L-glutamate

· China Postdoctoral Science Foundation: Physical model molecular simulation and density functional theory study of cholesteric liquid crystals

SelectedPublications

1. Fengling Zhao, Siyang Nie, Liang Wu, Qiang Yuan, Xun Wang, "Porous, Ultrathin PtAgBiTe Nanosheets for Direct Hydrazine Hydrate Fuel Cell Devices," Advanced Materials, 2023, 35, 2303672

2. Xintian Xie, Liang Wu, Huai Sun, Xuzhou Yan, Xinyuan Zhu,* "Phase Behavior and Liquid Crystalline Ordering of [2]Catenated Molecular Systems," Macromolecules, 2023, 56, 6189-6198

3. Bin Yuan, Liang Wu, Shitao Geng, et al., "Unlocking Reversible Silicon Redox for High-Performing Chlorine Batteries," Angewandte Chemie International Edition, 2023, 62, e202306789

4. Li Xu, Hongping Deng, Liang Wu, et al., "Supramolecular Cyclic Dinucleotide Nanoparticles for STING-Mediated Cancer Immunotherapy," ACS Nano, 2023, 17, 10090-10103

5. Guangfeng Li, Lei Wang, Liang Wu, et al., "Woven Polymer Networks via the Topological Transformation of a [2]Catenane," Journal of the American Chemical Society, 2020, 142, 14343-14349

6. Liang Wu, Huai Sun, "Manipulation of Cholesteric Liquid Crystal Phase Behavior and Molecular Assembly by Molecular Chirality," Physical Review E, 2019, 100, 022703

7. Hao Huang, Liang Wu, Huiming Xiong, Huai Sun,** "A Transferrable Coarse-Grained Force Field for Simulations of Polyethers and Polyether Blends," Macromolecules, 2019, 52, 249-261

8. Zheng Gong, Yanze Wu, Liang Wu, Huai Sun, "Predicting Thermodynamic Properties of Alkanes by High-Throughput Force Field Simulation and Machine Learning," Journal of Chemical Information and Modeling, 2018, 58, 2502-2516

Teaching

· Computational Chemistry: Theory and Practice

· Python Programming and Data Science

· Chemical Computation and Modeling





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