Atomic orbits in molecules and materials for improving machine learning force fields

Anton Charkin-Gorbulin, Artem Kokorin, Huziel E. Sauceda, Stefan Chmiela, Claudio Quarti, David Beljonne, Alexandre Tkatchenko, Igor Poltavsky. Atomic orbits in molecules and materials for improving machine learning force fields. Mach. Learn. Sci. Technol., 6(2):35005, 2025. [doi]

@article{CharkinGorbulinKSCQBTP25,
  title = {Atomic orbits in molecules and materials for improving machine learning force fields},
  author = {Anton Charkin-Gorbulin and Artem Kokorin and Huziel E. Sauceda and Stefan Chmiela and Claudio Quarti and David Beljonne and Alexandre Tkatchenko and Igor Poltavsky},
  year = {2025},
  doi = {10.1088/2632-2153/adea0b},
  url = {https://doi.org/10.1088/2632-2153/adea0b},
  researchr = {https://researchr.org/publication/CharkinGorbulinKSCQBTP25},
  cites = {0},
  citedby = {0},
  journal = {Mach. Learn. Sci. Technol.},
  volume = {6},
  number = {2},
  pages = {35005},
}