A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis

Predictive computational approaches are fundamental to accelerating solid-state inorganic synthesis. This work demonstrates a computational tractable approach constructed from available thermochemistry data and based on a graph-based network model for predicting solid-state inorganic reaction pathwa...

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Autores principales: Matthew J. McDermott, Shyam S. Dwaraknath, Kristin A. Persson
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/38056a546c614468a2aed7df9ba8906d
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