https://github.com/sail-sg/jrystal
A JAX-based Differentiable Density Functional Theory Framework for Materials
https://github.com/sail-sg/jrystal
density-functional-theory differentiable-programming electron-structure jax material-science quantum-chemistry solid-state
Last synced: 3 months ago
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A JAX-based Differentiable Density Functional Theory Framework for Materials
- Host: GitHub
- URL: https://github.com/sail-sg/jrystal
- Owner: sail-sg
- License: apache-2.0
- Created: 2024-12-27T02:34:15.000Z (10 months ago)
- Default Branch: main
- Last Pushed: 2025-06-22T15:20:44.000Z (4 months ago)
- Last Synced: 2025-06-22T16:28:58.993Z (4 months ago)
- Topics: density-functional-theory, differentiable-programming, electron-structure, jax, material-science, quantum-chemistry, solid-state
- Language: Python
- Homepage: https://sail-sg.github.io/jrystal/
- Size: 6.07 MB
- Stars: 15
- Watchers: 5
- Forks: 2
- Open Issues: 10
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Metadata Files:
- Readme: README.md
- License: LICENSE
- Roadmap: docs/roadmap.rst