Educators and students have long used Mathematica as a tool for analyzing and visualizing data, using the innovative notebook interface to combine text and data interactively. With the release of version 12 of the Wolfram Language there are a host of new functions designed specifically for the chemistry community, centered around the Molecule[], a computable data structure that is tightly integrated with the rest of the language.  This talk focuses on how to use the Wolfram Language in teaching chemistry, with examples related to complex chemical nomenclature, stereochemistry, point-group symmetry and more.

Using Mathematica to bring computational chemistry into the classroom

2019 Fall National Meeting

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