https://github.com/jamesetsmith/2022_simons_collab_pyscf_workshop

Demos for the 2022 Many Electron Collaboration Workshop on PySCF
https://github.com/jamesetsmith/2022_simons_collab_pyscf_workshop

colab-notebook jupyter-notebook pyscf python quantum quantum-chemistry

Last synced: about 2 months ago
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Demos for the 2022 Many Electron Collaboration Workshop on PySCF

• Host: GitHub
• URL: https://github.com/jamesetsmith/2022_simons_collab_pyscf_workshop
• Owner: jamesETsmith
• License: apache-2.0
• Created: 2022-05-31T13:56:04.000Z (over 2 years ago)
• Default Branch: main
• Last Pushed: 2022-06-21T14:05:09.000Z (over 2 years ago)
• Last Synced: 2023-07-03T22:13:54.959Z (over 1 year ago)
• Topics: colab-notebook, jupyter-notebook, pyscf, python, quantum, quantum-chemistry
• Homepage:
• Size: 21.7 MB
• Stars: 7
• Watchers: 3
• Forks: 2
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • Contributing: Contributing.md
  • License: LICENSE

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README

        
# 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](pyscf.org) and [examples](https://github.com/pyscf/pyscf/tree/master/examples)!

# Authors

- James Smith ([email protected])

- Hong-Zhou Ye

- Verena Neufeld