DARA: Data-driven automated Rietveld analysis for phase search and refinement

Automated phase search with BGMN.

Installation

pip install dara-xrd

For more details about installation, please refer to installation guide.

Web Server

Dara ships with a browser-based web server for an out-of-box experience of Dara. To launch the webserver, run

dara server

Then you can open http://localhost:8898 to see an application that can submit, manage, and view jobs.

Documentation

For more details about usage, please refer to the documentation.

Citation

If you use DARA in your research, please consider citing the following paper:

@article{doi:10.1021/acs.chemmater.5c02820,
  author = {Fei, Yuxing and McDermott, Matthew J. and Rom, Christopher L. and Wang, Shilong and Ceder, Gerbrand},
  title = {Dara: Automated Multiple-Hypothesis Phase Identification and Refinement from Powder X-ray Diffraction},
  journal = {Chemistry of Materials},
  volume = {38},
  number = {3},
  pages = {1364-1376},
  year = {2026},
  doi = {10.1021/acs.chemmater.5c02820},
  url = {https://doi.org/10.1021/acs.chemmater.5c02820},
  eprint = {https://doi.org/10.1021/acs.chemmater.5c02820}
}