Theoretical studies of gas phase kinetics and their application in combustion, atmosphere and interstellar space, focusing on combustion mechanism of nitrogen containing fuels/energetic materials, OH-initiated degradation mechanism of violated organic compounds and reaction mechanism of Nitrogen-containing aromatics in the Titan’s atmosphere, respectively.

The development of computational methods for rate coefficients of barrierless reactions, uncertainty evaluation of RRKM/master equation rate coefficients, and near-threshold photoionization cross-sections of organic molecules/radicals.

气相化学反应动力学理论及其在燃烧，大气以及天体中的应用：分别着眼于含氮燃料/含能材料的燃烧反应动力学机理，OH自由基主导的有机气溶胶组分降解机理以及土卫6大气环境下含氮芳香类化合物的反应机理。

理论计算方法的发展：无势垒反应速率常数计算方法，RRKM/主方程理论速率常数的不确定性分析以及有机分子或自由基的近阈值光电离截面计算方法。