Research on the Application of Computational Materials Science in Undergraduate Teaching

Abstract

In this paper, by taking first-principles software as examples, we apply computational materials science to the teaching process of undergraduates majoring in physics, chemistry and materials. We pay attention to the connection between theoretical research and experimental models, makes the abstract principle intuitive and dynamic, and facilitates students’ understanding of knowledge, a deep understanding of the structure of materials and the relationship between theoretical properties and macro properties, which can greatly enhance students’ initiative and creativity in participating in teaching activities. To a great extent, this has played a role of computational simulation as a bridge between theoretical teaching and experimental teaching to continue to explore the complementary relationship between computational simulation, theoretical teaching and experimental teaching, build a teaching model for the application and design ability training of materials and chemistry talents.