Xinhao Li is a 4th year Ph.D. candidate in the department of chemical engineering at Columbia University. His research in Dr. Alexander Urban’s group focuses on understanding atomic-scale properties of Li-ion battery cathode materials using electronic structure theory and data-science techniques. A specific focus of his research has been the prediction of electrode surface reactivity. He is the main developer of a Python framework for the automation of surface modeling to accelerate materials discovery. Prior to joining Columbia, he graduated from the University of Edinburgh, Scotland, UK.