Scientific Computing for Chemists: An Undergraduate Course in Simulations, Data Processing, and Visualization

The Scientific Computing for Chemists course taught at Wabash College teaches chemistry students to use the Python programming language, Jupyter notebooks, and a number of common Python scientific libraries to process, analyze, and visualize data. Assuming no prior programming experience, the course introduces students to basic programming and applies these skills to solve a variety of chemical problems. The course is structured around Jupyter notebooks as easily shareable documents for lectures, homework sets, and projects; the software used in this course is free and open source, making it easily accessible to any school or research lab.