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

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

doi:10.5281/zenodo.5034182

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Published June 26, 2021 | Version v1

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

1. Chalmers University of Technology, Gothenburg, Sweden
2. Aalto University, Espoo, Finland

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".

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dataset.zip

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dataset.zip md5:a3dc2785b16f1209740e9daf6315772e	1.9 MB	Preview Download

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Is cited by: Journal article: 10.1002/adts.202100217 (DOI)

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Zenodo

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Advanced Theory and Simulations, 4, 2100217, 2021.

License: Creative Commons Attribution 4.0 International

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Created: November 2, 2021
Modified: May 9, 2023

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

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Files

dataset.zip

Files (1.9 MB)

Additional details

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