Professor Fan Xiaoli, Doctoral Supervisor, is a Member of the 12th Shaanxi Committee of the CPPCC and Deputy to the 19th People’s Congress of the Beilin District in Xi’an. She received a Ph.D. from the Chinese University of Hong Kong. She then worked respectively as a Postdoctoral Fellow at the University of Western Ontario and a Visiting Scholar at the University of Oxford and Duke University. She is the winner of the Shaanxi Provincial Leading Talents and Outstanding Youth Fund and has been awarded Outstanding Talent of the Ministry of Education of the New Century. She serves as the Vice Secretary General and Member of the Computational Materials Science Branch of the Chinese Materials Research Society and also the Member of the General Principles Committee of the Materials Genetic Engineering of the Chinese Materials and Testing Standard Platform and a Member of the Computing Technical Committee, Fellow of the Institute of Materials, Minerals, and Mining(FIMMM), and Fellowship of High Education Academy(FHEA). Her main research interest is material microscale simulation, including the research of thermodynamically stable structure, nature, performance, and microscopic reaction kinetics process and mechanism. Till now, she has been in charge of more than ten projects, including National Key Research and Development Projects, Projects supported by the Program of the National Natural Science Foundation of China, and Projects Supported by the Key Program of Natural Science Foundation of Shaanxi Province. She has published over 100 SCI papers in well-known journals such as Physical Review Letters, Journal of American Chemical Society, Nano Letters, etc. She has won the First Prize in the Natural Science Award of Colleges and Universities in Shaanxi Province and the First Prize for Outstanding Papers in Natural Science of Henan Province.