Yi-Pei Li

Massachusetts Institute of Technology

Postdoctoral Associate


Email: ypli@mit.edu

Yi-Pei Li was born and grew up in Taiwan. He received his BSc in Chemical Engineering from the National Taiwan University in 2009. During his Bachelor’s degree, he began his research with Prof. Shiang-Tai Lin as an undergraduate researcher, developing a mathematical model for the simulation of the efficiency of bulk heterojunction solar cells.

In the fall of 2011, Yi-Pei went to the University of California at Berkeley to pursue his PhD in Chemical Engineering, co-advised by Prof. Alexis T. Bell and Prof. Martin Head-Gordon. During his PhD, he focused on studying reactions occurring in zeolite catalysts using quantum mechanics/molecular mechanics (QM/MM) simulations. He derived reliable force field parameters in conjugation with a thermo correction for anharmonic molecular motions to accurately simulate adsorptions and reactions and investigated detailed mechanisms and catalytic activities for complicated reactions of biomass-related compounds in zeolites.

After receiving his PhD, Yi-Pei joined the Green Group in September 2016. He is now working on reactions involving sulfur containing species and an automatic scheme for reaction discovery. In his spare time he enjoys traveling and photography.