Bridging small molecule calculations and predictable polymer mechanical properties

Abstract For decades, the prediction of polymer material properties using macromolecular computational methods has faced significant challenges due to the requirement for extensive databases, inefficiencies in computation time, and limitations in predictive accuracy. Herein we discover that the calc...

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Bibliographic Details
Main Authors: Luping Wang, Kaiqiang Zhang, Kaiyang Hou, Yuguo Xia, Xu Wang
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-62449-8
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