How Graph Neural Network Interatomic Potentials Extrapolate: Role of the message-passing algorithm

How Graph Neural Network Interatomic Potentials Extrapolate: Role of the message-passing algorithm

<p dir="ltr">Supplementary data regarding the graph neural network interatomic potential paper</p>

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Bibliographic Details
Main Author:	Sungwoo Kang (19331707) (author)
Published:	2024
Subjects:	Chemical thermodynamics and energetics machine learning potential
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