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