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

摘要

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.