Xiaoxia Li


Xiaoxia Li, B.S. 1985, Chemical Engineering, Tsinghua University; M.S. 1988, Computer Chemistry, Institute of Chemical Metallurgy, Chinese Academy of Sciences. Assistant Professor in 1989 – 1995 and Associate Professor between 1996 – 2005, Laboratory of Computer Chemistry and Laboratory of Multiphase Complex Systems, Chinese Academy of Sciences. Professor since 2006, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences.

Has been working on chemical databases, Internet chemistry search engines and reactive molecular dynamics. Recent research focuses on large scale ReaxFF molecular dynamics approach for understanding complex chemical reactions by creating the first GPU-accelerated code of GMD-Reax and the leading code of VARxMD for automated reaction analysis, which have been applied to challenging problems for revealing reaction mechanisms of complex pyrolysis and combustion systems, including pyrolysis of coal, biomass, polymers and energetic materials, as well as pyrolysis and oxidation of hydrocarbon fuel and bio-oil. Authored or co-authored more than 70 articles, two books and several book chapters.