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 carbon capture, hydrogen storage, and heterogeneous catalysis.
My research is driven by hypothesis-based inquiry, leveraging atomistic and numerical modeling, along with data science methods, to decode 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 the performance and durability of materials for environment- or energy-related technologies.
For consulting inquiries in academic or industrial computational materials research, please contact me at lisichi222@gmail.com.