储能

（1）轻质合金内缺陷与力学性质计算研究
（2）低维材料热力学、微观力学及其电子态
（3）半导体与储能材料电子结构及量子输运、离子传输计算
（4）材料计算数据挖掘及机器学习

[1] Xinxin Zhang, Lin Zhang, Electron transport in spin-polarized zigzag graphene nanoribbons under uniaxial tension, Diamond & Related Materials, 2025, 152, 111970
[2] Fuyao Deng, Lin Zhang*, Yi Dong, Guodong Cui, The synergistic interaction of polymer electrolyte in solid state lithium batteries: A perspective from simulations at electrical level, Journal of Energy Storage 2024, 102, 114259
[3] Chuang Lin, Lin Zhang*, Yi Dong, Lattice dynamics of lithium anti-perovskite solid-state electrolytes Li3OX (X = Cl, Br): An insight into thermal management from first-principles study，Journal of Energy Storage 2024, 101, 113795
[4]Jinhan Liu, Lin Zhang*, Structural and Thermodynamic Behaviors of CumAgn (m + n =144−147) Nanoalloys during Cooling: Implications for Nanoparticle Structure Control，ACS Appl. Nano Mater. 2023, 6, 6388
[5]Dandan Zhao, Yue Guan, Zhennan Wu, Lin Zhang*,Thermal Stability and Mechanical Properties of Hollow Si Nanowires from Atomic Modeling Combined with a Machine-Learning Prediction for Application as Li-Ion Battery Anodes,ACS Appl. Nano Mater. 2023, 6, 22241
[6]Yue Guan, Xiaodan Li, Qingmiao Hu, Dandan Zhao, Lin Zhang*,Theoretical design of BAs/WX2 (X = S, Se) heterostructures for high-performance photovoltaic applications from DFT calculations,Applied Surface Science, 2022, 599, 153865
[7] Lin Zhang*, Molecular dynamics simulations of atom packing characteristics for three deformed silver nanoparticles at room temperature，Phys. Chem. Chem. Phys. 2016, 18, 7310
[8] Zhang L*, Zhang CB, Liu XH, Wang GD, Modeling recrystallization of austenite for C-Mn steels during hot deformation by cellular automaton, J. Mater. Sci. Tech. 2002，18, 163
[9] Zhang L*, Zhang CB, Wang YM, Wang SQ, Ye HQ, A cellular automaton investigation of the transformation from austenite to ferrite during continuous cooling，Acta Mater. (51)2003，5519-5526
[10] 张林*，王元明，张彩碚，Ni基耐热合金凝固过程的元胞自动机方法模拟， 金属学报 08(2001), 882-888

（1）紧束缚材料计算软件的DCU加速改造，横向项目，项目负责人
（2）半导体材料计算云的软件应用与测试，横向项目，项目负责人
（3）电子束熔化技术成形Ti-6Al-4V合金试件界面区内原子堆积结构的计算研究,国家自然科学基金面上项目，项目负责人
（4）纳米析出相影响核反应堆压力容器用低合金钢脆性断裂裂纹演化的原子尺度计算研究，辽宁省自然科学基金，项目负责人
（5）Mg17Al12相影响铝合金-镁合金连接区内裂纹萌生与扩展的原子尺度计算研究，国家自然科学基金面上项目，项目负责人