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Materials Chemistry

Python Tools for Teaching Chemistry Concepts and Skills

Overview

This repository is intended to host a collection of Jupyter notebooks designed to teach chemistry concepts and skills. The notebooks are organized by topic and provide interactive examples, visualizations, and exercises to help students understand complex materials chemistry topics.

Contents

  • notebooks/
    • Jahn–Teller.ipynb — analysis of Jahn–Teller distortions and their effects on electronic structure. Binder The Jahn–Teller notebook was created by Clotilde Cucinotta and Richard Hennig.
  • scripts/ — helper scripts for data processing and plotting
  • data/ — input data and example datasets
  • docs/ — additional documentation

Contributing

Contributions are welcome. Please open issues or pull requests for changes, and include tests or example outputs where applicable.

License

This project is released under the MIT License. See the LICENSE file for details.

Contributing

We welcome contributions! Please see CONTRIBUTING.md for guidelines on how to add new notebooks or improve existing ones.

License

This project is licensed under the MIT License - see the LICENSE file for details.

Authors and Acknowledgements

  • Clotilde Cucinotta
  • Richard Hennig

Contact

For questions or suggestions, please open an issue on GitHub.