Abstract: Computational Materials Science is a compulsory course for majors such as Materials Science and Engineering. Considering the characteristics and current teaching landscape of this course and leveraging the research focus of our group on nonlinear optics, this paper takes the “intrinsic properties of materials - band structure” as an example to illustrate the application of the research case-based teaching methodology in the Computational Materials Science curriculum. This approach aims to stimulate students’ learning interest, cultivate their autonomous learning abilities, enhance teaching effectiveness, and lay a solid foundation for students to master professional skills and improve practical capabilities.

Key words: Research case-based teaching, Computational materials science, Band structure