1）核材料辐照损伤效应
2）半导体材料辐照失效
3）多尺度动力学模型发展

主持国家自然科学基金金项目6项、国防基础科研核科学挑战专题课题1项、国家重点研发计划子课题1项等。长期从事材料辐照损伤效应的多尺度模拟研究。自主开发了IRadMat和IM3D（开源）等模拟程序；在Inter. J. Plastic., Nucl. Fusion, J. Nucl. Mater., npj Comput. Mater.等专业期刊上发表SCI论文50余篇，一作英文论著章节1篇；做国际会议大会特邀报告5次，国内会议邀请报告6次；参与制定ISO国际标准和国家标准各1项，获中国软件著作权2项。

一、代表性论文列表
1.C.L. Ren, Y. Yang, Y.G. Li, P. Huai, Z.Y. Zhu and J. Li, Sample spinning to mitigate polarization artifact and interstitial-vacancy imbalance in ion-beam irradiation, npj Comput. Mater. (2020) in press.
2.P.B. Zhang, Y.G. Li* and J.J. Zhao, Materials selection for nuclear applications in view of divacancy energies by comprehensive first-principles calculations, J. Nucl. Mater. 538 (2020) 152253.
3.Y.G. Li*, Q.R. Zheng, L.M. Wei, C.G. Zhang and Z. Zeng, A Review of Surface Damage/Microstructures and Their Effects on Hydrogen/Helium Retention in Tungsten, Tungsten 2 (2020) 34-71.
4.L.M. Wei, Y.G. Li*, G.F. Zhao, Q.R. Zheng, J.W. Li and Z. Zeng, Key Factors in Radiation Tolerance of BCC Metals under Steady State, Nucl. Instrum. Methods. Phys. Res. B 455 (2019) 134-139.
5.J.W. Li, Y.G. Li*, G.F. Zhao, C.G. Zhang, L.M. Wei and Z. Zeng, H Dissolution and Desorption in W (1 1 0) Surface with the Presence of He: A First-principles Study, Nucl. Instrum. Methods. Phys. Res. B 455 (2019) 90-95.
6.C. Li, S.F. Mao, Y.B. Zou, Y.G. Li*, P. Zhang, H.M. Li and Z.J. Ding, A Monte Carlo Modeling on Charging Effect for Structures with Arbitrary Geometries, J. Phys. D: Appl. Phys. 51 (2018) 165301.
7.Y.B. Zou, M.S.S. Khan, H.M. Li, Y.G. Li*, W. Li, S.T. Gao, L.S. Liu and Z.J. Ding, Use of Model-Based Library in Critical Dimension Measurement by CD-SEM, Measurement 123 (2018) 150-162.
8.Y. Yang, Y.G. Li, M.P. Short, C.-S. Kim, K.K. Berggren and J. Li, Nano-beam and Nano-target Effects in Ion Radiation, Nanoscale 10 (2018) 1598-1606.
9.Z. Zhao, Y.G. Li*, C.G. zhang, G.Y. Pan, P.F. Tang, Z. Zeng, Effect of Grain Size on the Behavior of Hydrogen/Helium Retention in Tungsten: A Cluster Dynamics Modeling, Nucl. Fusion 57 (2017) 086020.
10.Y.G. Li, Y. Yang, M.P. Short, Z.J. Ding, Z. Zeng and J. Li, Ion Radiation Albedo Effect: Influence of Surface Roughness on Ion Implantation and Sputtering of Materials, Nucl. Fusion 57 (2017) 016038.
11.G.Y. Pan, Y.G. Li*, Y.S. Zhang, C.G. Zhang, Z. Zhao and Z. Zeng, First-principles Investigation of the Orientation Influenced He Dissolution and Diffusion Behaviors on W Surfaces, Rsc Adv. 7 (2017) 25789-25795.
二、主持的项目列表
1. 国家自然科学基金委员会面上项目，聚变堆材料离子/中子初级辐照损伤的加速级联退火模拟
2. 中国科学技术部，国家磁约束核聚变能发展研究专项，聚变堆金属材料中子辐照计算模拟
3. 国家自然科学基金委员会，国际（地区）合作与交流项目，参加原子、分子及等离子体环境中物质特性研究基本方法的国际研讨会
4. 国家自然科学基金委员会，面上项目，表面微结构对钨中氢氦滞留行为影响机制的团簇动力学研究
5. 中国工程物理研究院，国防基础科研核科学挑战专题项目，辐照条件下材料性质的多尺度计算与模拟