Demos for the PySCF Workshop

These demos are part of the materials for the PySCF workshop on June 17-19th, 2022, which is part of the 2022 Many Electron Collaboration Summer School.

Setup

1. Option 1: No setup or install required! Check out the demos in the demos directory and click on the Google Colab badge at the top. This will take you to a Google Colab notebook and is hosted by Google.
2. Option 2: Clone this repository and run the notebooks locally on your personal machine.

Next Steps

If you've completed all the demos or just want to know more about a specific feature, check out PySCF's documentation and examples!

Authors

• James Smith ([email protected])
• Hong-Zhou Ye
• Verena Neufeld