marcelotirelli/python-notebooks-for-physical-chemistry

Interactive Python Notebooks for Physical Chemistry

Interactive Python Notebooks for Physical Chemistry

Abstract

Chemistry simulations using interactive graphic user interfaces (GUI) represent uniquely effective and safe tools to support multi-dimensional learning. Computer literacy and coding skills have become increasingly important in the chemical sciences. In response to both these facts, a series of Jupyter notebooks hosted on Google Colaboratory were developed for undergraduate students enrolled in Physical Chemistry. These modules were developed for use during the COVID19 pandemic when Millsaps College courses were virtual, and only virtual or online labs could be used. These interactive exercises employ the Python programming language to explore a variety of chemical problems related to kinetics, the Maxwell–Boltzmann distribution, numerical versus analytical solutions, and real-world application of concepts. Accessibility was prioritized and students were assumed to have no prior programming experience; the notebooks are cost-free and browser based. Students were guided to use widgets to build interactive GUIs that provide dynamic representations, immediate access to multiple investigations, and interaction with key variables. To evaluate the perceived effectiveness of this introduction to Python programming, participants were surveyed at the beginning and end of the course to gauge their interest in pursuing programming and data analysis skills and how they viewed the importance of programming and data analysis for their future careers. Student reactions were generally positive and showed increased interest in programming and its importance in their futures, so these notebooks will be incorporated into the in-person laboratory in the future.

Content will be periodically updated to fix bugs and add and improve content.

Answer keys can be requested by instructors by emailing me using your school email address.

Using the Notebooks

I hope this material is useful for anyone interested in incorporating some Python into their chemistry classes. If anyone would like to offer suggestions, thoughts, or let me know how they're using the material, please don't hesitate to reach out. The "Getting Started with Colab" document has further info about importing, saving, and downloading files and connecting Colab to GitHub.

1. Click on the notebook you want to use. When previewed click the button directly below the email contact information. This will open the notebook in Colab and you can save a copy from there.

2. Download copies of each notebook from GitHub to share with your students. After clicking on the file you want, at the top right of each file, click the download button.