Datasets used for "Graph Transformer Networks for Accurate Band Structure Prediction: An End-to-End Approach"

Datasets used for "Graph Transformer Networks for Accurate Band Structure Prediction: An End-to-End Approach"

<p dir="ltr">Datasets used for "Graph Transformer Networks for Accurate Band Structure Prediction: An End-to-End Approach". </p>

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Bibliographic Details
Main Author: Weiyi Gong (20189937) (author)
Other Authors: Tao Sun (91038) (author), Hexin Bai (22537877) (author), Jeng-Yuan Tsai (12120099) (author), Haibin Ling (22537872) (author), Qimin Yan (20958355) (author)
Published: 2025
Subjects:
Neural networks
Condensed matter modelling and density functional theory
electronic structure ab initio calculations
Graph neural network;
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