Computer Graphics and Computation in the Undergraduate Organic and Molecular Modeling Courses

本科生有机和分子建模课程中的计算机图形与计算

• 批准号: 9750809
• 负责人: Tamara Gund
• 金额: $ 2.98万
• 依托单位: New Jersey Institute of Technology
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1997
• 资助国家: 美国
• 起止时间: 1997-08-01 至 2001-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9750809&HistoricalAwards=false
• 关键词: Computer; Graphics; Computation; Undergraduate; Organic

The project establishes a computer graphics laboratory in the Chemistry Department to enable students to gain hands-on experience in molecular visualization, modeling, and computational techniques. The laboratory is used by students in courses in organic chemistry, physical organic chemistry, and molecular modeling. Chemical concepts are demonstrated in course lectures using computer graphics and visualization, and students perform assigned exercises themselves in the laboratory to reinforce and extend their learning of the concepts. Two sessions of the organic chemistry experimental laboratory course are being transformed into molecular modeling sessions, and the graphics laboratory is being used extensively for the current elective course on molecular modeling. Independent, student-initiated molecular modeling projects are being encouraged, and the new equipment allows for sophisticated studies. The effectiveness of incorporating computer methods into undergraduate chemistry will be reported at national meetings and in research papers. This project is advancing involvement with collaborators at the University of Massachusetts, the University of California at Santa Cruz, and elsewhere in preparing a syllabus for the use of molecular modeling in the undergraduate curriculum. *

该项目在化学系建立了一个计算机图形实验室，使学生能够在分子可视化，建模和计算技术方面获得实践经验。 该实验室被学生用于有机化学，物理有机化学和分子模拟课程。 化学概念在课程讲座中使用计算机图形和可视化进行演示，学生在实验室中自己进行指定的练习，以加强和扩展他们对概念的学习。 有机化学实验室课程的两个会议正在转变为分子建模会议，图形实验室被广泛用于当前的选修课程分子建模。 鼓励学生发起的独立分子建模项目，新设备允许进行复杂的研究。 将计算机方法纳入本科化学的有效性将在全国会议和研究论文中报告。 该项目正在推进与马萨诸塞州大学、圣克鲁斯的加州大学和其他地方的合作者的参与，以编写在本科课程中使用分子建模的教学大纲。 *