Modelling and simulation of materials is one of the three basic scientific research methods paralleled with experiment and theory. The computational materials and design group focuses on the electronic structures, and thermal, transport and optical properties of materials employing atomistic simulations. Advanced simulations at atomic scale are powerful and useful means to predict the physical and chemical properties of materials, understand the underlying mechanism behind the experimental phenomena, and simulate the chemical reaction process.

The computational materials and design group is led by Prof. Dr. Yu JIA, vice chairman of the College Physics Teaching steering Committee of the Ministry of Education, vice chairman of the National Association for Computational Physics Research, distinguished professor of Henan Province. The group members include Prof. Dr. Zaiping ZENG, distinguished professor of Henan University, Dr. Xiao-Wei Huang, and Dr. Liangliang LIU.

Thecomputational materials and designhas undertaken more than 20 projects at national and provincial levels, including ‘973’ National key basic Research and Development Program, National Natural Science Foundation, Henan University Innovative Talentset al. More than 300 international refereed scientific papers have been published. This has resulted in many awards at provincial level, including top 10 scientific and technological progresses of universities in Henan Province and second prize for scientific and technological progress of Henan Province.

Thecomputational materials and designhas engaged in teaching basic physics courses and condensed matter physics theory at both Master and Doctoral levels, including Advanced Solid State Physics, Advanced Quantum Mechanics, and Thematic Study of Computational Physics.

We warmly welcome young researchers, who is open minded, enjoys scientific research and is willing to overcome scientific challenges, to join the group. We are open for visiting professors and scholars for all kinds of scientific exchanges and visits.

Contact Information:

Prof. Dr. Yu JIA:jiayu@henu.edu.cn

Prof. Dr. Zaiping ZENG:zaiping.zeng@henu.edu.cn

Dr. Xiaowei HUANG:huangxiaowei@henu.edu.cn

Dr. Liangliang LIU:liuliangliang@henu.edu.cn