Computational Chemistry And Visualization Laboratory

计算化学与可视化实验室

• 批准号: 9351671
• 负责人: Thomas DuBois
• 金额: $ 6万
• 依托单位: University of North Carolina at Charlotte
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1993
• 资助国家: 美国
• 起止时间: 1993-09-01 至 1996-02-29
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9351671&HistoricalAwards=false
• 关键词: Computational; Chemistry; Visualization; Laboratory

9351671 DuBois We are establishing a new course in computational chemistry and visualization applications and a Computational Chemistry and Visualization Laboratory. This laboratory facility is enabling us to teach computational chemistry and visualization applications to students in a laboratory environment as well as providing lecture demonstration capabilities through our video classroom facilities. This integrated use of molecular modeling and visualization tools is being implemented throughout our curriculum (and especially in the junior and senior years) and is enabling our students to visualize a number of fundamental molecular properties which are important in relating microscopic concepts to the macroscopic properties of materials. Recent advances in computational chemistry programs, 3D visualization software, workstation power and computer networking have combined to allow this exciting opportunity to make fundamental pedagogical changes in the undergraduate curriculum. These changes are enabling students to better understand and comprehend the critical, basic concepts of molecular bonding, intramolecular and intermolecular interactions, and molecular interactions with electromagnetic radiation. Perhaps most importantly, the students are gaining that understanding much earlier in their chemical education which, in turn, is permitting them to advance to much higher levels of chemical understanding during their undergraduate education. ***

9351671杜波依斯我们正在建立一个新的课程在计算化学和可视化应用和计算化学和可视化实验室。 该实验室设施使我们能够在实验室环境中向学生教授计算化学和可视化应用，并通过我们的视频教室设施提供讲座演示功能。 这种分子建模和可视化工具的综合使用正在我们的整个课程中实施（特别是在初中和高中），使我们的学生能够可视化一些基本的分子特性，这些特性在将微观概念与材料的宏观特性联系起来时非常重要。 计算化学课程，3D可视化软件，工作站电源和计算机网络的最新进展相结合，使这个令人兴奋的机会，使本科课程的根本教学变化。 这些变化使学生能够更好地理解和理解分子键合，分子内和分子间相互作用以及分子与电磁辐射相互作用的关键基本概念。 也许最重要的是，学生们在化学教育中更早地获得了这种理解，这反过来又使他们能够在本科教育中提高到更高的化学理解水平。 ***