Areas of Focus
- Molecular Simulation
- Reaction Mechanism
- Chemical Search Engines, Chemical Databases, Cheminformatics
Work Experience
- 2006-01--Present, Researcher, Multiphase Complex System State Key Laboratory, Institute of Process Engineering, Chinese Academy of Sciences
- 1996-09--Present, Associate Researcher, Computer Chemistry Laboratory, Institute of Chemical Metallurgy, Chinese Academy of Sciences
- 1990-09--Present, Assistant Researcher, Computer Chemistry Laboratory, Institute of Chemical Metallurgy, Chinese Academy of Sciences
- 1988-09--Present, Intern Researcher, Computer Chemistry Laboratory, Institute of Chemical Metallurgy, Chinese Academy of Sciences
Academic Background & Achievements
- 1985-09--1988-09 Master of Engineering, Institute of Chemical Metallurgy, Chinese Academy of Sciences
- 1980-09--1985-07 Bachelor of Engineering, Department of Chemical Engineering, Tsinghua University
Publications
- Creating a Reaction Data Set Labeled with Reaction Class for Automated Reaction Classification for ReaxFF Molecular Dynamics Simulations of Realistic Fuel Pyrolysis, Xiaoxia Li, Shanwen Yang, 2024
- Generating a skeleton reaction network for reactions of large-scale ReaxFF MD pyrolysis simulations based on a machine learning predicted reaction class, Shanwen Yang, Xiaoxia Li, 2024
Awards
- 2007 Beijing Science and Technology Award, Third Prize, Provincial Level
- 2001 Special Award, Asian Chemical Society Member Assembly, Other
- 1997 Chinese Academy of Sciences Science and Technology Progress Award, Third Prize, Ministry Level
- 1992 Chinese Academy of Sciences Science and Technology Progress Award, First Prize, Ministry Level
