引用本文:
陈显飞, 张文涛, 杜海英. 基于科研案例的计算材料学实验设计[J]. 大学化学,
2025, 40(3): 52-61.
doi:
10.3866/PKU.DXHX202403112
Citation: Xianfei Chen, Wentao Zhang, Haiying Du. Experimental Design of Computational Materials Science Based on Scientific Research Cases[J]. University Chemistry, 2025, 40(3): 52-61. doi: 10.3866/PKU.DXHX202403112
Citation: Xianfei Chen, Wentao Zhang, Haiying Du. Experimental Design of Computational Materials Science Based on Scientific Research Cases[J]. University Chemistry, 2025, 40(3): 52-61. doi: 10.3866/PKU.DXHX202403112
基于科研案例的计算材料学实验设计
English
Experimental Design of Computational Materials Science Based on Scientific Research Cases
Abstract:
Innovative education is essential for cultivating highly skilled innovative talents. Integrating cutting-edge scientific research findings and methodologies into classroom teaching can offer students a more comprehensive, practical, and forward-looking educational experience. This experimental design encompasses the steps of constructing crystal structure models, optimizing crystal structures, calculating band structures, and catalyzing compound decomposition in computational materials science. It aims to help students grasp the fundamental principles, processes, and analytical methods of first principles calculations, connect theory with practical engineering problems, and nurture their ability to employ modern engineering tools and novel technologies to identify, analyze, and resolve intricate engineering problems.
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