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Published March 27, 2023 | Version 1.0
Dataset Open

Data and software: Heat flux for semi-local machine-learning potentials

  • 1. Machine Learning Group, Technische Universität Berlin
  • 2. Theoretical Physics Division, Linköping University
  • 3. NOMAD Laboratory at the FHI of the Max-Planck-Gesellschaft and IRIS Adlershof of the Humboldt Universität zu Berlin
  • 4. Materials Research and Technology Department, Luxembourg Institute of Science and Technology

Description


This repository contains data, code, and related artefacts supporting the following publication:

"Heat flux for semi-local machine-learning potentials"
by Marcel F. Langer, Florian Knoop, Christian Carbogno, Matthias Scheffler, and Matthias Rupp
arXiv: TBD
doi: TBD
 

More details can be found in the main README.md file, and the README.md files in the subfolders.


For any further questions, feel free to contact mail@marcel.science, @marceldotsci on Twitter, or @marcel@sigmoid.social.

 

Files

gknet-archive.zip

Files (1.8 GB)

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md5:74f0f4aca91986afb8ed6588f8a0b4c7
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Additional details

Related works

Documents
Dataset: 10.17172/NOMAD/2023.03.24-2 (DOI)

Funding

TEC1p – Big-Data Analytics for the Thermal and Electrical Conductivity of Materials from First Principles 740233
European Commission