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Dataset related to article: Heat transport properties of PbTe_{1-x}Se_x alloys using equivariant graph neural network interatomic potential

  • Kevin Conley (VTT Technical Research Centre of Finland) (Creator)
  • Colton Gerber (Creator)
  • Andrew Novick (Creator)
  • Terra Berriodi (Creator)
  • Eric S. Toberer (Creator)
  • Antti Karttunen (Creator)

Dataset

Description

This repository contains the dataset to train and test the Machine Learning Interatomic Potential (MLIP) for PbTe_{1-x}Se_x alloys. The computational details are given in the manuscript.
Date made available23 Jun 2025
PublisherZenodo

Dataset Licences

  • CC-BY-4.0

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