Citation: Zhenming Xu, Qingsheng Liu, Jiangan Chen. Application of Materials Studio Software in the Course Teaching of Computational Chemistry and Computational Materials Science[J]. University Chemistry, ;2024, 39(1): 332-339. doi: 10.3866/PKU.DXHX202305082 shu

Application of Materials Studio Software in the Course Teaching of Computational Chemistry and Computational Materials Science

1.
College of Materials Science and Technology, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China;
2.
Faculty of Materials, Metallurgy and Chemistry, Jiangxi University of Science and Technology, Ganzhou 341000, Jiangxi Province, China;
3.
School of Resources and Environmental Engineering, Jiangxi University of Science and Technology, Ganzhou 341000, Jiangxi Province, China

Corresponding author: Zhenming Xu, xuzhenming@nuaa.edu.cn
Received Date: 29 May 2023

Introducing the Materials Studio software into the course teaching of computational theory, such as computational chemistry, computational materials science, and applying the mode of "computational theory explanation + practical operation of research case by computational software" can significantly improve the teaching efficiency, realizing scientific research feeding the high-quality teaching. Application of the Materials Studio software in the course teaching can make students to apply and consolidate the theoretical knowledge concepts in the practice operations of software, and improve students' theoretical method level and software operation skill level. Meanwhile, it makes the teaching content more vivid and specific, stimulates students' interest in the course teaching of computational chemistry and computational materials science, and cultivate students' scientific research thinking and exploration ability, realizing teaching supporting the high-level scientific research.
- Computational simulation software,
- Structural modeling,
- Quantum chemical calculation,
- First principle calculation,
- Molecular dynamics simulation,
- Monte carlo simulation
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