The ab initio non-crystalline structure database: empowering machine learning to decode diffusivity

Abstract Non-crystalline materials exhibit unique properties that make them suitable for various applications in science and technology, ranging from optical and electronic devices and solid-state batteries to protective coatings. However, data-driven exploration and design of non-crystalline materi...

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Bibliographic Details
Main Authors: Hui Zheng, Eric Sivonxay, Rasmus Christensen, Max Gallant, Ziyao Luo, Matthew McDermott, Patrick Huck, Morten M. Smedskjær, Kristin A. Persson
Format: Article
Language:English
Published: Nature Portfolio 2024-12-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-024-01469-2
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