https://github.com/mzjb/DeepH-pack

Deep neural networks for density functional theory Hamiltonian.
https://github.com/mzjb/DeepH-pack

ab-initio-simulations deeph density-functional-theory dft equivariant-network first-principles-calculations hamiltonian julia physics pytorch

Last synced: 3 months ago
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Deep neural networks for density functional theory Hamiltonian.

• Host: GitHub
• URL: https://github.com/mzjb/DeepH-pack
• Owner: mzjb
• License: lgpl-3.0
• Created: 2022-05-13T02:51:32.000Z (over 2 years ago)
• Default Branch: main
• Last Pushed: 2024-05-22T10:50:01.000Z (6 months ago)
• Last Synced: 2024-05-22T11:54:17.633Z (6 months ago)
• Topics: ab-initio-simulations, deeph, density-functional-theory, dft, equivariant-network, first-principles-calculations, hamiltonian, julia, physics, pytorch
• Language: Python
• Homepage:
• Size: 679 KB
• Stars: 185
• Watchers: 6
• Forks: 42
• Open Issues: 10
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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