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Li Research Group Computational Chemistry Lab

Principal Investigator

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Yi-Pei Li (李奕霈)
Department of Chemical Engineering
National Taiwan University
Tel : +886-2-3366-3007
E-mail : yipeili@ntu.edu.tw
Office : Room N416
Education
  • Ph.D., Chemical and Biomolecular Engineering
    University of California at Berkeley, 2016
  • B.S., Chemical Engineering
    National Taiwan University, 2009
Professional Experience
  • Associate Professor
    National Taiwan University, 2023-
  • Assistant Professor
    National Taiwan University, 2019-23
  • Postdoctoral Associate
    Massachusetts Institute of Technology, 2016-19
Research Interests
  • Artificial Intelligence and Machine Learning
  • Computational Chemistry
  • Chemical Reaction Engineering
  • Catalyst Design
Honors & Awards
  • Outstanding Reviewer for RSC Digital Discovery (2025)
  • ACS Engineering Au’s Rising Stars in Chemical Engineering (2025)
  • R&D Service Platform Highlight Award (研發服務平台亮點成果獎), National Institutes of Applied Research, Taiwan (2025)
  • LCY Distinguished Young Professor Award (李長榮學術研究傑出青年教授獎), Taiwan Institute of Chemical Engineers (2024)
  • Academy Encouraged Award (學術勵進獎), Taiwan Institute of Chemical Engineers (2024)
  • Excellent Young Scholar (優秀年輕學者計畫), National Science and Technology Council, Taiwan (2024)
  • Readers’ Choice Award in Physical Sciences, International Journal of Chemical Kinetics (2024)
  • Young Scholar Award (優秀青年獎), Catalysis Society of Taiwan (2023)
  • Young Investigator Award, Taipei International Conference in Catalysis (2022)
  • NERSC Science Highlight, Department of Energy, USA (2019)
  • Outstanding Young Scholar Award (積極爭取國外優秀年輕學者獎), Foundation for the Advancement of Outstanding Scholarship, Taiwan (2019)
  • Young Scholar Fellowship (愛因斯坦計畫), Ministry of Science and Technology, Taiwan (2019)
Courses
  • Computer Programming (ChemE 1004)
  • Python and Its Applications (ChemE 3020)
  • Chemical Engineering Laboratory (I) (ChemE 3010)
  • Chemical Engineering Laboratory (II) (ChemE 4006)
  • The Application of AI in Chemical Engineering (ChemE 5072)
  • Advanced Chemical Engineering Kinetics (ChemE 7004)