Regional Molecular Modeling Workshop for College Teachers

当前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性，使得分子建模对各级本科课程都是可行的。分子的构造和可视化已经成为有价值的教学工具，然而许多化学教育者对这种媒介的经验有限或没有。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学习在本科课程中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，1月将举行后续研讨会。参与者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，并将简要介绍从头算方法。工作坊的重点将放在如何运用这些技术来教授和学习本科化学。我们将进一步建议参与者在其国内机构建立计算化学课程。在一月期间，来自五学院地区的参与者和当地教育工作者将被邀请到大学交流成功案例，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.