Dataset related to article: Equivariant graph neural network interatomic potential for Green-Kubo thermal conductivity in phase change materials

Name: Dataset related to article: Equivariant graph neural network interatomic potential for Green-Kubo thermal conductivity in phase change materials
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NIAID Data Ecosystem2026-05-01 收录

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https://zenodo.org/record/10688119

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资源简介：

This repository contains the dataset to train and test the GeTe Machine Learning Interatomic Potential (MLIP). The computational details are given in the manuscript.

创建时间：

2024-03-11