Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution

Mortazavi, Bohayra; Podryabinkin, Evgeny V; Novikov, Ivan S; Rabczuk, Timon; Zhuang, Xiaoying; Shapeev, Alexander V

doi:10.1016/j.cpc.2020.107583

by Bohayra Mortazavi, Evgeny V Podryabinkin, Ivan S Novikov, Timon Rabczuk, Xiaoying Zhuang, Alexander V Shapeev

Reference:

Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution (Bohayra Mortazavi, Evgeny V Podryabinkin, Ivan S Novikov, Timon Rabczuk, Xiaoying Zhuang, Alexander V Shapeev), Computer Physics Communications, Elsevier, 2020.

Bibtex Entry:

@article{mortazavi2020-ShengBTE,
  title={Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution},
  author={Mortazavi, Bohayra and Podryabinkin, Evgeny V and Novikov, Ivan S and Rabczuk, Timon and Zhuang, Xiaoying and Shapeev, Alexander V},
  journal={Computer Physics Communications},
  pages={107583},
  year={2020},
  publisher={Elsevier},
  doi={10.1016/j.cpc.2020.107583},
  url={http://www.shapeev.com/my_papers/Mortazavi2020-ShengBTE.pdf}
}