https://github.com/pasqal-io/qex
JAX-based differentiable Kohn-Sham Density Functional Theory implementation for training quantum(-enhanced) neural exchange-correlation functionals.
https://github.com/pasqal-io/qex
chemistry density-functional-theory machine-learning quantum quantum-computing
Last synced: 14 days ago
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JAX-based differentiable Kohn-Sham Density Functional Theory implementation for training quantum(-enhanced) neural exchange-correlation functionals.
- Host: GitHub
- URL: https://github.com/pasqal-io/qex
- Owner: pasqal-io
- License: other
- Created: 2025-05-02T14:54:59.000Z (11 months ago)
- Default Branch: main
- Last Pushed: 2026-01-29T13:58:02.000Z (about 2 months ago)
- Last Synced: 2026-01-30T01:51:58.351Z (about 2 months ago)
- Topics: chemistry, density-functional-theory, machine-learning, quantum, quantum-computing
- Language: Jupyter Notebook
- Homepage: https://arxiv.org/abs/2404.14258
- Size: 7.01 MB
- Stars: 18
- Watchers: 0
- Forks: 2
- Open Issues: 0
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Metadata Files:
- Readme: README.md
- License: LICENSE