Professor Jianjun Liu received his Ph.D. in physical chemistry from the Institute of Theoretical Chemistry, Jilin University, China, in 2002. He subsequently continued his research activity in theoretical chemistry as a postdoctoral fellow at the Cherry L. Emerson Center for Scientific Computation at Emory University. In 2005, he moved to the Department of Chemistry and Biochemistry of Southern Illinois University as an assistant scientist and lecturer, working on computational simulation of complex metal hydrides for hydrogen storage. In 2011, he joined the faculty as a professor at the State Key Laboratory of High Performance Ceramics and Superfine Microstructure of Shanghai Institute of Ceramics, Chinese Academy of Sciences. Professor Liu has been active in various organizations and has coauthored over 50 papers in journals such as The Journal of the American Chemical Society as well as four book chapters and delivered over 30 oral research presentations. Currently, his research focuses on computational simulation of energy conversion and storage materials with an aim to reveal the relation of their structure and properties and further design and optimize novel and high-performance materials. His current research activity was supported by many Chinese national funds.