Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning

Podryabinkin, Evgeny V; Tikhonov, Evgeny V; Shapeev, Alexander V; Oganov, Artem R

doi:10.1103/PhysRevB.99.064114

by Evgeny V Podryabinkin, Evgeny V Tikhonov, Alexander V Shapeev, Artem R Oganov

Reference:

Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning (Evgeny V Podryabinkin, Evgeny V Tikhonov, Alexander V Shapeev, Artem R Oganov), Physical Review B, APS, volume 99, 2019.

Bibtex Entry:

@article{podryabinkin2019-uspex,
  title={Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning},
  author={Podryabinkin, Evgeny V and Tikhonov, Evgeny V and Shapeev, Alexander V and Oganov, Artem R},
  journal={Physical Review B},
  volume={99},
  number={6},
  pages={064114},
  year={2019},
  publisher={APS},
  doi = {10.1103/PhysRevB.99.064114},
  eprint = {1802.07605},
  url = {http://www.shapeev.com/my_papers/Podryabinkin2019-uspex.pdf},
  cat = {IP}
}