Blue Phosphorene Dataset for Graph Neural Network Training

dataset

posted on 2023-04-08, 04:06 authored by Jianan ZhangJianan Zhang, Aditya Koneru, Subramanian SankaranarayananSubramanian Sankaranarayanan, Carmen LilleyCarmen Lilley

<p>Four zip files include the blue phosphorene structures and their total energy evaluated by density functional theory or a Tersoff potential.</p>

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blue phosphorene 2d material interfaces density functional theory Graph Neural Network (GNN)Tersoff potential Nanomaterials Theory and Design of Materials

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