Doctoral degree
With Certificate of Graduation for Doctorate Study
Gender:Male
Date of Birth:1982-06-30
Date of Employment:2009-07-01
Business Address:化学与材料科学学院附楼339室化学软件开发研究室
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Yibo Lei , Professor, doctoral supervisor, member of the Theoretical Chemistry Committee of the Chinese Chemical Society. In 2004, he received a bachelor's degree from the Department of Chemistry, Northwest University, and he received a doctorate degree from the Institute of Modern Physics, Northwest University in July 2009. Then he joined the college of Chemistry & Materials Science, Northwest University. From February 2010 to July 2011, he was a postdoctoral fellow in the Department of Applied Chemistry, National Chiao Tung University, Taiwan. From March 2016 to October 2016, visiting scholar at the Department of Chemistry, University of North Dakota, USA. Mainly responsible for the research and development and maintenance of BDF and Xi’an-CI, the few quantum chemical calculation packages in China with independent intellectual property rights, and studying the dynamic simulation of photochemical reactions based on the Trajectory Surface Hopping method of the improved Zhu-Nakamura formula. Presided over 3 projects of the National Natural Science Foundation of China, participated in key project of the National Natural Science Foundation of China as the person in charge of the cooperative unit, 2 projects of the Basic Research Program of Natural Science in Shaanxi Province, and the "Excellent Youth Academic Backbone Support Program" of Northwest University, and published more than 30 papers. The developed BDF and Xi'an-CI program packages who is participated in can be compared with similar foreign programs in terms of function, calculation scale and efficiency. He won the first prize of the "Shaanxi Science and Technology Award" in 2017. Participated in the research and development of non-adiabatic dynamic simulation method and its program can perform real-time non-adiabatic dynamic simulation process at any electronic structure level and in any constrained dynamic process, only needing the energy and its gradient calculated by the electronic structure.
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