Computational Thinking, which involves logically ordering and analyzing data and creating solutions using a series of ordered steps, has been extensively promoted as a way to enhance students' ability to confidently deal with complexity and open-ended problems.  Physical Chemistry teachers, including the presenter, have gravitated towards using expensive software such as Mathcad and Mathematica to help students focus on the Chemistry and minimize the distraction of dealing with the more complicated mathematics.  Excel, regarded as primarily a business tool, has been largely ignored beyond simple data analysis and graphing applications, due to the dearth of code for advanced mathematical algorithms.   Recently, the presenter has started incorporated programming in Excel VBA into the Physical Chemistry curriculum at Nicholls State University.  The experience should prepare students to take advantage of advanced VBA codes that are now available for scientists on an inexpensive, ubiquitous platform with a very familiar user interface.  With activities developed so far, our students use VBA to: (1) create an animation of an electromagnetic wave, (2) create an animation of the temperature dependence of a blackbody spectrum, (3) numerically solve one-dimensional Schrodinger equations and calculate location probabilities and Franck-Condon factors, (4) simulate molecular spectra, and (5) numerically solve a simultaneous differential rate equations given a reaction mechanism with rate constants.

Using Excel VBA to promote computational thinking in physical chemistry

255th National Meeting (2018)

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