研究领域

主要包括功能材料的结构设计、性能计算和分析。目前主要研究超硬材料的结构预测和力学性能计算。

1. Qian Li, Jianyun Wang, Hanyu Liu, “Theoretical research on novel orthorhombic tungsten dinitride from first principles calculations”, RSC Advances, 8,9272, (2018). 

2. Qian Li,Yanan Guo, Miao Zhang, Xinlei Ge, “Pressure-induced structural phase transformation and superconducting properties of titanium mononitride”, Solid State Communications,271,16 (2018).

3. Qian Li, Lei Sha, Chunye Zhu, Yansun Yao,“New multifunctional tungsten nitride with energetic N6 and extreme hardness predicted from first principles”, Europhysics letter, 118, 46001 (2017) .