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Xiaoxia Li

Xiaoxia Li, Professor.

B.S. from the Department of Chemical engineering, Tsinghua University in 1985; M.S. at Lab of Computer Chemistry (LCC), Chinese Academy of Sciences in 1988. Joined Institute of Process Engineering (formerly Institute of Chemical Metallurgy), Chinese Academy of Sciences since 1988 as assistant professor in 1990, associate professor in 1996 and professor in 2006. Served as the Project Director of Asian Chemical Information Network, Federation of Asian Chemical Societies (FACS) in 1999-2017, as vice Chairman and general secretory in Committee of Computer Chemistry, Chinese Chemical Society in 2000-2018, as trustee of Chemical Structure Association Trust in 2003-2018. Served as an EXCO member in Chinese National Council for CODATA from 2008. Serves in Chinese Chemical Society as a member in Committee of Combustion Chemistry since 2017, as a member in Council of Women Chemists since 2014, and a member in Committee of Computer Chemistry since 2018. She is also a member in Committee of Process Simulation and Emulation, the Chemical Industry and Engineering of China since 2017.

Awards include the 1st and 3rd Prize of Scientific & Technology Advancement, Chinese Academy of Sciences, and the 3rd Prize of Beijing Scientific & Technology. Published more than 70 scientific papers and authored the book of 'The Chemical Resources on Internet' in 2000 by Science Press, Beijing and coauthored another two books.

Research interests include large scale reactive molecular dynamics (ReaxFF MD), reaction mechanism in complex real systems such as pyrolysis of coal, biomass, polymer and combustion of coal, bio-oil, jet fuel and diesel fuel; GPU computing, reaction analysis and visualization, chemical databases and search engine.

Office: room 540, PE building; Tel: 86-010-82544944; E-mail:

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