Dr. He has extensive experience in carrying out first-principles studies of surfaces and interfaces of metals and oxides, nanostructures, molecular interactions and chemical reactions using electronic structure methods and molecular dynamic simulation techniques. Her research interests include the fundamental and applied aspects of novel nanostructures, catalysis, and nano/molecular electronic devices. Her current research is to use the state-of-the-art computational tools to study photocatalysis and electrocatalysis with special emphasis on the surface interactions, organic-inorganic interfaces.