Workshop for Integration of Numerical Methods into the Undergraduate Chemistry Curriculum Using the Mathcad Software

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Physical Chemistry is the first course in the Chemistry curriculum which utilizes numerical methods to calculate quantities of physical and chemical interest from measurable data, tasks which are required of Chemistry graduates. Due to progress in personal computers, the undergraduate student now has access to a series of software choices which may be used to perform calculations far beyond those previously available. One of the most popular software packages in general use is Mathcad. Even as this technology is being developed, undergraduate faculty are striving to implement them in classes. To aid undergraduate Physical Chemistry faculty in the incorporation of numerical methods into the undergraduate curriculum, we propose to hold a series of week-long workshops whose goals are to produce i) fluency in the use of Mathcad as a tool, and ii) the development and presentation of mathematical methods useful in the Physical Chemistry lecture and laboratory courses. The workshops will be held for six days at the University of South Alabama during the summers of 1997-1998 and will include 18 participants and three instructors each summer. The general itinerary will consist of a combination of lectures, hands-on computer laboratory exercises, and panel discussions concerning the use of numerical methods in Physical Chemistry. One important feature of the workshop will be the development of a series of templates by the participants, each of which will perform a useful numerical technique relevant to the Physical Chemistry course, and will be made accessible to the public through our WWW site. Following the workshop, a discussion group involving all participants will be set up through the e-mail network. The purpose of this group is to prepare a set of templates and exercises which may be published during the year following the workshop. During the summer following the workshop, the former workshop participants will discuss their work at the fall ACS meeting. This session will be entit led "Numerical Methods in Physical Chemistry Using Mathcad", and will be chaired by one of the principal investigators of the proposal.