《新能源材料》课程教学中材料建模与第一性原理计算的应用

Application of materials modeling and first-principles calculation in the course of“New Energy Materials”

在新工科理念不断发展和新能源领域人才缺口持续增长的背景下,《新能源材料》课程急需进行教学方法改革以培养行业高端人才。实地调研显示,多数参与课程的学生认为有必要引入材料建模与第一性原理计算的信息技术手段,具体应用方法与注意事项的分析论证表明,两种手段与课程基本概念联系紧密,均有利于新能源行业材料研发人才的培养。

Under the background of developing new engineering concepts and continuous growing demands of professionals in the new energy field,teaching methods of the“New Energy Materials”course urgently need to be upgraded to cultivate high-end professionals for the industry.The field research in this paper shows that most of the students who have participated in the course believe it is necessary to apply information-technology methods of material modeling and first-principles calculation.The demonstration and further analysis of the methods and precautions are conducted.Results show that the two methods are closely related to the basic concepts of the course,and both are beneficial for the cultivation of high-end professionals in developing new energy materials.