Data and code for "Efficient calculation of the lattice thermal conductivity by atomistic simulations with ab-initio accuracy"

Name: Data and code for "Efficient calculation of the lattice thermal conductivity by atomistic simulations with ab-initio accuracy"
Creator: Fransson, Erik; Hashemi, Arsalan; Krasheninnikov, Arkady V.; Erhart, Paul; Eriksson, Fredrik; Brorsson, Joakim; Fan, Zheyong; Ala-Nissila, Tapio; Komsa, Hannu-Pekka
Published: 2021-06-26T00:00:00+08:00

Zenodo2021-06-26 更新2026-04-07 收录

晶格热导率

材料原子模拟

数据链接：

https://zenodo.org/record/7915677 数据链接链接失效反馈

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资源简介：

This data set contains data and code related to the publication "Efficient calculation of the lattice thermal conductivity by atomistic simulations with ab-initio accuracy".

提供机构：

Fransson, Erik; Hashemi, Arsalan; Krasheninnikov, Arkady V.; Erhart, Paul; Eriksson, Fredrik; Brorsson, Joakim; Fan, Zheyong; Ala-Nissila, Tapio; Komsa, Hannu-Pekka

创建时间：

2021-06-26