A general force field by machine learning on experimental crystal structures. Calculations of intermolecular Gibbs energy with FlexCryst

Références BibTex

@Article{HK23,
  author       = {Hofmann, D. and Kuleshova, L.},
  title        = {A general force field by machine learning on experimental crystal structures. Calculations of intermolecular Gibbs energy with FlexCryst},
  journal      = {Acta Crystallographica Section A},
  volume       = {A79},
  pages        = {132-144},
  year         = {2023},
  publisher    = {International Union of Crystallography},
  keywords     = {machine learning; Gibbs energy; crystal structure analysis; force field; intermolecular interactions},
  issn         = {2053-2733},
  doi          = {10.1107/S2053273323000268},
  url          = {https://publications.crs4.it/pubdocs/2023/HK23},
}

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