Computer programming has a long history in the chemistry curriculum. From custom calculators and spreadsheet functions to instrumentation and electronic-structure software scripts, modern chemistry students utilize coding throughout their studies. This trend is expected to only increase as chemical data sets and machine learning integrate more deeply into the day-to-day activities of chemical research and practice. One approach to student programming skills is to add an existing introductory computer science or custom chemical programming course to the curriculum. While this may be feasible for a specialized degree track, it does not reflect how programming underpins activities across the traditional five chemistry subdisciplines. Therefore, incorporating programming across the curriculum is often a lower barrier for both faculty and students. Existing modules and activities can be adjusted to more formally highlight existing coding components or extended to include a computational thinking component. Examples of such curricular activity adjustments using Wolfram Notebooks and the new Molecule functionality in Wolfram Language are provided.

Weaving computer programming into the chemistry curriculum

Fall 2022 abstracts, posters, and presentations will launch in mid-September.

ACS Fall 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.