《Computational Materials》 is an advanced means of studying materials science by using computer as a tool and applying appropriate mathematical methods to numerically analyze and simulate material science problems, and numerically simulate material properties and processes. It closely links experiments and theories to accelerate the process of material development. This course will mainly introduce density functional theory and molecular dynamics theory in the development of computational materials science, and introduce some applications in practical problems. Teaching requires students to master the basic principles and preliminary applications of material calculation and simulation, as well as the mastery of scientific research methods and means. Therefore, the purpose of the assessment is to check the student's learning in these areas. Enhance students' interest in learning through assessment and promote students' active learning of relevant knowledge; Cultivate students' ability to think about problems from principles and solve problems by means of simulation analysis; The assessment focuses on the learning process, learning style, and the absorption and recreation of knowledge, and the student's ability to analyze and solve problems. The overall evaluation of students combines ordinary learning with periodic assessment, combines theoretical learning with application, and combines learning performance and learning attitude to form a fair and objective evaluation of students' academic performance.