Abstract: Recognizing the significant role of theoretical computational chemistry in advancing chemistry and related fields, the chemistry teaching team in Nankai University has developed a training model as part of the “Pilot Plan for Cultivating Top Students in Basic Disciplines”. This model centers around an “Introduction to Computational Chemistry” course, integrating theory, practice, and cutting-edge research to enhance the cultivation of top talents. Over four years of teaching practice, the team has explored and refined aspects of training modes, curriculum design, and interdisciplinary integration. Student feedback data indicates that this optimized curriculum system significantly fosters the development of outstanding talent in the field.

Key words: Top-notch talent training, Theoretical computational chemistry, Guidance course, Student survey data