Machine learning of molecular properties: Locality and active learning

Gubaev, Konstantin; Podryabinkin, Evgeny V.; Shapeev, Alexander V.

doi:10.1063/1.5005095

by Konstantin Gubaev, Evgeny V. Podryabinkin, Alexander V. Shapeev

Reference:

Machine learning of molecular properties: Locality and active learning (Konstantin Gubaev, Evgeny V. Podryabinkin, Alexander V. Shapeev), The Journal of Chemical Physics, AIP Publishing, volume 148, 2018.

Bibtex Entry:

@article{Gubaev2018,
  doi = {10.1063/1.5005095},
  url = {https://doi.org/10.1063/1.5005095},
  year  = {2018},
  month = {jun},
  publisher = {{AIP} Publishing},
  volume = {148},
  number = {24},
  pages = {241727},
  author = {Konstantin Gubaev and Evgeny V. Podryabinkin and Alexander V. Shapeev},
  title = {Machine learning of molecular properties: Locality and active learning},
  journal = {The Journal of Chemical Physics},
  url = {http://www.shapeev.com/my_papers/Gubaev2018-chem.pdf},
  eprint = {1709.07082},
  cat = {IP}
}