大学化学2024,Vol.39Issue(1) :332-339.DOI:10.3866/PKU.DXHX202305082

Materials Studio软件在计算化学和计算材料学课程教学中的应用

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

许真铭 刘庆生 陈江安
大学化学2024,Vol.39Issue(1) :332-339.DOI:10.3866/PKU.DXHX202305082

Materials Studio软件在计算化学和计算材料学课程教学中的应用

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

许真铭 1刘庆生 2陈江安3
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作者信息

  • 1. 南京航空航天大学材料科学与技术学院,南京 210016
  • 2. 江西理工大学材料冶金化学学部,江西赣州 341000
  • 3. 江西理工大学资源与环境工程学院,江西赣州 341000
  • 折叠

摘要

将Materials Studio软件使用引入计算化学和计算材料学等课程教学,采取"计算理论方法讲解+计算软件实践操作科研案例"模式进行高效课程教学,实现科研反哺高质量教学.让学生在软件实践操作中运用、巩固理论知识概念,实现理论方法水平和软件操作技能的双重提升.同时使课程教学内容变得形象具体,激发学生对计算化学和计算材料学课程的学习兴趣,培养学生的科研思维和探索能力,实现教学支撑高水平科研.

Abstract

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.

关键词

计算模拟软件/结构建模/量子化学计算/第一性原理计算/分子动力学模拟/蒙特卡洛模拟

Key words

Computational simulation software/Structural modeling/Quantum chemical calculation/First principle calculation/Molecular dynamics simulation/Monte carlo simulation

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出版年

2024
大学化学
北京大学 中国化学会

大学化学

影响因子:0.636
ISSN:1000-8438
参考文献量18
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