Regional Molecular Modeling Workshop for College Teachers

目前负担得起的计算机硬件水平的快速增长，以及各种计算化学软件包的现成可用，使得分子建模对于所有级别的本科课程来说都是易懂的。分子的构造和可视化已经成为有价值的教学工具，然而许多化学教育工作者对这种媒介的经验有限或没有经验。这个为期三年的项目将为新英格兰和纽约东部的大学教师提供一个在本科课程中学习使用分子建模的机会。每年6月将在马萨诸塞大学举行为期三天半的研讨会，并将于1月份举行后续研讨会。学员将熟悉分子力学和半经验分子轨道计算的基本理论和实际应用，并将获得对从头算方法的简要介绍。研讨会的重点将放在如何使用这些技术教授和学习本科生化学。我们将进一步建议参与者在本国机构建立计算化学课程。在一月份，参与者和来自五所学院地区的当地教育工作者将被邀请到该大学交流成功的故事，并讨论将建模纳入本科课程的方法。

The current rapid increase in the level of affordable computer hardware, and the ready availability of a variety of -computational chemistry software packages, have made molecular modeling accessible to all levels of the undergraduate curriculum. Construction and visualization of molecules have become valuable teaching tools, yet many chemical educators have had limited or no experience with this medium. This three year project will offer college faculty in New England and eastern New York an opportunity to learn about using molecular modeling in their undergraduate courses. A three and one half day workshop will be held each June at the University of Massachusetts, with a follow-up symposium to be held in January. Participants will gain familiarity with the basic theory and practical use of molecular mechanics and semi-empirical molecular orbital calculations and will receive a brief introduction to ab-initio methods. The emphasis of the workshop will be on the use of these techniques to teach and learn undergraduate chemistry. We will further advise the participants in establishing computational chemistry programs at their home institutions. During January participants and local educators from the Five-College region will be invited to the University to exchange success stories and discuss methods of incorporating modeling into undergraduate courses.