Phase Diagrams of Alloys and Their Hydrides via On-Lattice Graph Neural Networks and Limited Training Data
(2024)
Journal Article
Witman, M. D., Bartelt, N. C., Ling, S., Guan, P., Way, L., Allendorf, M. D., & Stavila, V. (2024). Phase Diagrams of Alloys and Their Hydrides via On-Lattice Graph Neural Networks and Limited Training Data. Journal of Physical Chemistry Letters, 15(5), 1500-1506. https://doi.org/10.1021/acs.jpclett.3c03369
Efficient prediction of sampling-intensive thermodynamic properties is needed to evaluate material performance and permit high-throughput materials modeling for a diverse array of technology applications. To alleviate the prohibitive computational ex... Read More about Phase Diagrams of Alloys and Their Hydrides via On-Lattice Graph Neural Networks and Limited Training Data.