README.md

metadata

license: mit
tags:
  - Computational physics
  - flow model
  - transformer
  - Strongly Correlated Electrons
size_categories:
  - 10K<n<100K

Hydrogen Hugoniot Dataset

Dataset of hydrogen Hugoniot for Variational free energy method

View source code on GitHub

Features

• Trained models and parameters for warm dense hydrogen or deuterium
• n_* directories are trained PBC models
• twist_n_* directories are trained TBC models
• '_gl_0.2' means HF grid_length=0.2 Bohr, otherwise is 0.5 Bohr
• eos csv files are inferenced equation of state data
• '_t' means TBC data, otherwise is PBC
• '_fsec' means finite size effect correction

Citation

If you use this code in your research, please cite our article:

@article{8zn5-6dnt,
  title = {Deep variational free energy calculation of hydrogen Hugoniot},
  author = {Li, Zihang, Xie, Hao, Dong, Xinyang, and Wang, Lei},
  journal = {Phys. Rev. Lett.},
  pages = {--},
  year = {2026},
  month = {Jan},
  publisher = {American Physical Society},
  doi = {10.1103/8zn5-6dnt},
  url = {https://link.aps.org/doi/10.1103/8zn5-6dnt}
}

License

This project is licensed under the MIT License. See the LICENSE file for details.