Nanoscience and Computational Physics Research Group mainly studies the electronic, optical, and transport properties of nanomaterials and single crystal materials. The main investigated systems include two-dimensional composite graphene systems and tungsten bronze. The theoretical methods applied to calculations include the VASP and Wannier90 programs based on the density functional theory and the tight-binding model calculation. The former two methods are introduced to decide the stable structure of studied materials and calculate the energy bands, density of states, and dielectric constants; the last method is mainly applied to investigate the physical properties of external fields (uniform electric/magnetic fields, modulated electric/magnetic fields, and composite fields) after obtaining the tight-binding parameters from the VASP and Wannier90 calculations. In addition, the high-efficiency cluster constructed from 5 workstations combined with the InfiniBand parallel hardware is used for the theoretical calculations.