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"Accelerating first-principles estimation of thermal conductivity by ..."

Bohayra Mortazavi et al. (2021)

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DOI: 10.1016/J.CPC.2020.107583

access: closed

type: Journal Article

metadata version: 2022-04-09

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Bohayra Mortazavi, Evgeny V. Podryabinkin, Ivan S. Novikov, Timon Rabczuk, Xiaoying Zhuang, Alexander V. Shapeev:
Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution. Comput. Phys. Commun. 258: 107583 (2021)

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