Accelerating high-throughput searches for new alloys with active learning of interatomic potentials

Gubaev, Konstantin; Podryabinkin, Evgeny V.; Hart, Gus L. W.; Shapeev, Alexander V.

doi:10.1016/j.commatsci.2018.09.031

by Konstantin Gubaev, Evgeny V. Podryabinkin, Gus L. W. Hart, Alexander V. Shapeev

Reference:

Accelerating high-throughput searches for new alloys with active learning of interatomic potentials (Konstantin Gubaev, Evgeny V. Podryabinkin, Gus L. W. Hart, Alexander V. Shapeev), Computational Materials Science, volume 156, 2019.

Bibtex Entry:

@article{Gubaev2019-alloys,
  title={Accelerating high-throughput searches for new alloys with active learning of interatomic potentials},
  author={Konstantin Gubaev AND Evgeny V. Podryabinkin AND Gus L. W. Hart AND Alexander V. Shapeev},
  journal={Computational Materials Science},
  year={2019},
  volume = {156},
  number = {24},
  pages = {148--156},
  url = {http://www.shapeev.com/my_papers/Gubaev2019-alloys.pdf},
  doi = {10.1016/j.commatsci.2018.09.031},
  eprint = {1806.10567},
  cat = {IP}
}