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.
工作经历
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上海交通大学
化学化工学院, 助理研究员, 2015-12至现在
教育经历
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伦敦帝国学院
Chemical Engineering, Doctor of Philosophy (PhD), 2009-10至2013-07