Engineering and Technologynpj Computational Materials
Atomistic Line Graph Neural Network for improved materials property predictions
K. Choudhary and B. Decost
Explore the cutting-edge research by Kamal Choudhary and Brian DeCost, who have introduced the Atomistic Line Graph Neural Network (ALIGNN). This innovative model enhances atomistic material representation by integrating crucial bond angle information, leading to superior predictions of solid-state and molecular properties across multiple databases.
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