Email: li77@llnl.gov
About me
I am a staff scientist and principal investigator in the Quantum Simulations Group at Lawrence Livermore National Laboratory (LLNL), within the Materials Science Division. I specialize in computational materials science and chemical engineering, with a focus on functional polymer degradation, carbon capture, solid-state hydrogen storage, and heterogeneous catalysis.
My research is driven by hypothesis-based inquiry, leveraging first principles and numerical modeling, along with data science methods, to understand the physical chemistry of functional materials used in environmental and energy applications. l am currently leading several projects, as a PI or co-PI, funded by the Department of Energy (DOE) and industry, aiming at improving materials performance and durability.
For consulting inquiries in academic or industrial computational materials research, please contact me at lisichi222@gmail.com.