Title: Associate Professor A(Special Researcher), doctoral Supervisor
Tel: 010-68912632
Department: Computational Physics
E-mail: weiguo7@bit.edu.cn
Address: School of Physics, Beijing Institute of Technology, No.5 Zhongguancun South Street, Haidian District, Beijing 100081

He is mainly engaged in the field of condensed matter calculation and surface physics and chemistry. Aiming at the difficulty in determining the structure-activity relationship between the complex microstructure on the surface of nanoparticles and the catalytic activity, a multi-scale simulation framework combining density functional theory, kinetic Monte Carlo and microdynamic simulation was developed to study the optimization and screening of the structure and composition of catalytic materials in the decomposition of ammonia and nitric oxide. A new strategy for designing bimetallic nanoparticles is proposed. In the field of high energy density material design and simulation, several new energetic polymers with high energy density and high hardness are predicted.

2002/9-2007/8, Institute of Physics, Chinese Academy of Sciences, Condensed Matter Physics, Ph. D., Supervisor: Academician Gao Hongjun
1998/9-2002/7, University of Science and Technology of China, Theoretical Physics, B.S.

2017/1-Now, Beijing Institute of Technology, School of Physics, Special Researcher
2015/3-2016/12, Associate Professor, School of Physics, Beijing Institute of Technology
2014/11-2015/2, Laboratory of Nano and Device Physics, Institute of Physics, Chinese Academy of Sciences, Visiting Scholar
2011/10-2014/10, Postdoctoral Researcher, Dion G. Vlachos Group, Department of Chemical and Molecular BioEngineering, University of Delaware 2008/10-2011/4, Center for Atomic Structure Design, Department of Physics, Technical University of Denmark (Jens K. Norskov Research Group), Postdoc
2007/8-2008/9, Max Planck Institute Fritz-Haber, Berlin, Germany (Matthias Scheffler Research group), Postdoc

I have published more than 70 papers in journals such as Nature Chem., Nature Commun., Phys. Rev. Lett., ACS Catalog., PRB, JPC series, PCCP, etc., with an h-index of 22 (as of 2022). Presented 5 times at important international academic conferences, including the Annual Conference of the American Society of Chemical Engineers, the American Society of Industrial and Applied Mathematics, and China Nano, and served as a reviewer for multiple domestic and foreign journals. Hosted two natural science foundation projects, one full chain science and technology innovation project of Beijing Institute of Technology, and participated in one major project of the Ministry of Science and Technology< br>