Education and Experience 
Dr.Chunhui Li earned a Doctor of Philosophy in Mechanical Engineering ( Washington State University, July 2019) with a dissertation on simulation studies of protein-particle interactions in battery applications, advised by Prof. Jin Liu. He also holds a Master of Engineering in Mechanical Engineering ( Harbin Institute of Technology, July 2013) with a thesis on grinding trajectories of SiC Aspherical, advised by Prof. Feihu Zhang, and a Bachelor of Engineering in Manufacturing Engineering ( Harbin Institute of Technology, July 2011). Since July 2020, Dr. Li has been working at Lawrence Berkeley National Laboratory, focusing on rapid prediction of liquid structure using deep learning and developing machine learning surrogates for Geoscience Models.
Professional Development
Dr.Chunhui Li has honed technical skills in molecular dynamics simulation (
GROMACS, LAMMPS, VASP), machine learning/deep learning/data science (
PyTorch, TensorFlow, Scikit-Learn, Pandas, Numpy), and programming languages (
Python, Java, C/C++, Shell script, MATLAB, Perl). He has designed and managed high-throughput molecular dynamics simulations, curated extensive datasets, and developed efficient AI models, showcasing impressive speed improvements over traditional methods.
Research Focus
Dr. Li’s research focuses on the application of machine learning and molecular dynamics to geoscience and battery applications. His notable work includes developing deep learning models for rapid prediction of time-averaged structural properties, creating AI-based surrogates for geochemistry models, and improving the ion conductivity of solid polymer electrolytes through protein-coated nanofillers. Dr.Li’s collaborative efforts with experimental researchers have led to significant advancements in computational physics and material science.