Predicting adsorption ability of adsorbents at arbitrary sites for pollutants using deep transfer learning

Abstract Accurately evaluating the adsorption ability of adsorbents for heavy metal ions (HMIs) and organic pollutants in water is critical for the design and preparation of emerging highly efficient adsorbents. However, predicting adsorption capabilities of adsorbents at arbitrary sites is challeng...

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Bibliographic Details
Main Authors: Zhilong Wang, Haikuo Zhang, Jiahao Ren, Xirong Lin, Tianli Han, Jinyun Liu, Jinjin Li
Format: Article
Language:English
Published: Nature Publishing Group 2021-01-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-021-00494-9