High throughput computational screening and interpretable machine learning for iodine capture of metal-organic frameworks

Abstract The removal of leaked radioactive iodine isotopes in humid air environments holds significant importance in nuclear waste management and nuclear accident mitigation. In this study, high-throughput computational screening and machine learning were combined to reveal the iodine capture perfor...

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Bibliographic Details
Main Authors: Haoyi Tan, Yukun Teng, Guangcun Shan
Format: Article
Language:English
Published: Nature Portfolio 2025-05-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01617-2
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