Postdoctoral Fellow
Matter Lab
University of Toronto

Dr. Zhenpeng Yao


Dr. Yao is a computational material scientist in the Matter lab. Zhenpeng conducts research focusing on a variety of phenomena observed in electrochemistry and searching for materials generally used in, yet not limited to, Li-ion batteries, including materials for anodes, cathodes, solid electrolytes, as well as Metal-organic Frameworks (MOFs). First-principles Density Functional Theory (DFT) Calculations, High-throughput Virtual Screening, Deep Learning techniques, Monte Carlo Simulations, Non-equilibrium Phase Search Method, Nudged Elastic Band theory are common tools used.