Citations

If you use py-electrostatic in your research, please cite:

L. Monacelli and N. Marzari, Electrostatic interactions in atomistic and machine-learned potentials for polar materials, Phys. Rev. B 113, 094101 (2026).

DOI: 10.1103/7ygl-8db2

BibTeX

@article{monacelli2026electrostatic,
  title = {Electrostatic interactions in atomistic and machine-learned potentials for polar materials},
  author = {Monacelli, Lorenzo and Marzari, Nicola},
  journal = {Phys. Rev. B},
  volume = {113},
  issue = {9},
  pages = {094101},
  numpages = {17},
  year = {2026},
  month = {Mar},
  publisher = {American Physical Society},
  doi = {10.1103/7ygl-8db2},
  url = {https://journals.aps.org/prb/abstract/10.1103/7ygl-8db2}
}

Software Dependencies

py-electrostatic builds upon: