Education
2009-2013 Ph. D, Chemical Engineering, Imperial College London
2006-2009 Master of Physical Chemistry, East China University of Science and Technology
2002-2006 Bachelor, Shanghai University

Employment
2018-present Assistant Researcher, Shanghai Jiao Tong University
2015-2018 Postdoctoral fellow, Shanghai Jiao Tong University
2013-2015 Analyst, Evalueserve Business Consulting

Research interest
Molecular simulation and advanced density-functional theory are applied to model soft matters including polymers, surfactants, liquid crystals, and nano-composite. In order to improve the predictive power of molecular simulation, molecular force fields are developed at all-atom, coarse-graining level with proper transferability. Particularly, I focus on molecular level understanding of condensed phase behaviour of complex soft matters such as DNA, polypeptide, and liquid crystal polymers. As an emerging field, we also apply MD-driven machine-learning algorithm to predict thermodynamics and transport properties of enormous types of molecules.

国家自然科学基金 聚-(γ-苯甲基)-L-谷氨酸酯的液晶态的分子模拟和密度泛函理论研究
中国博士后科学基金会 面上项目 胆甾液晶的物理模型分子模拟和密度泛函理论研究

Publications

1. Liang Wu and Huai Sun*, Manipulation of cholesteric liquid crystal phase behavior and molecular assembly by molecular chirality. Phys. Rev. E (2019)

2. Yanze Wu, Huai Sun*, Liang Wu*, Joshua D. Deetz, Extracting the Mechanisms and Kinetic Models of Complex Reactions from Atomistic Simulation Data. J. Comput. Chem (2019)

3. Hao Huang, Liang Wu*, Huiming Xiong, Huai Sun*, A transferrable coarse-grained force field for simulations of polyethers and polyether blends, Macromolecules (2018)

4. Zheng Gong, Yanze Wu, Liang Wu, Huai Sun, Predicting Thermodynamic Properties of Alkanes by High-throughput Force Field Simulation and Machine Learning, J. Chem. Inf. Model. (2018)

5. Liang Wu, Huai Sun, Cholesteric ordering predicted using a coarse-grained polymeric model with helical interactions, Soft Matter (2018)

6. Liang Wu, Alexandr Malijevský, Carlos Avendaño, E. A. Müller, G. Jackson, Demixing, surface nematization, and competing adsorption in binary mixtures of hard rods and hard spheres under confinement, J. Chem. Phys. (2018)

7. Liang Wu, Alexandr Malijevský, G. Jackson, E. A. Müller and Carlos Avendaño, Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders. J. Chem. Phys. (2015) 

8. Liang Wu, E. A. Müller and G. Jackson, Understanding and describing liquid crystalline states of polypeptide solutions, Macromolecules (2014)

9. Long Wang, Wei Zhao, Liang Wu, Liyan Li and Jun Cai, Improved renormalization group theory for critical asymmetry of fluids, J. Chem. Phys. (2013)

10. Wei Zhao, Liang Wu*, Long Wang, Liyan Li and Jun Cai, Critical asymmetry in renormalization group theory for fluids, J. Chem. Phys. (2013)

11. L. Wu, H. H. Wensink, E. A. Müller and G. Jackson, A generic equation of state for liquid crystalline phases of hard-oblate particles, Molecular Physics (2012)

12. Liyan Li , Kaiwei Tang , Liang Wu, Wei Zhao, Jun Cai, Monte Carlo simulation of vapor-liquid equilibrium and critical asymmetry of square-well dimer fluid, J. Chem. Phys. (2012)

《计算化学理论与实践》

《Python 编程与数据科学》