Data and code for "Efficient calculation of the lattice thermal conductivity by atomistic simulations with ab-initio accuracy"
https://doi.org/10.5281/zenodo.7915677
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".
The updated record contains force constant potential (FCP) files that are readable by hiphive 1.X The old versions require a version
Go to data source
https://doi.org/10.5281/zenodo.7915677
Citation and access
Citation and access
Data access level:
Creator/Principal investigator(s):
- Hashemi, Arsalan – Aalto University, Espoo, Finland
Research principal:
Citation:
Administrative information
Administrative information
Identifiers
Identifiers
oai:
oai:zenodo.org:7915677
Topic and keywords
Topic and keywords
Swedish Standard Classification of Research Subjects 2025:
Keywords:
- Force constant expansions
- Force constant potentials
- Molecular Dynamics Simulation
Relations
Relations
Är citerad av:
Är version av:
Metadata
Metadata
