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Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c01314
Abstract: Machine learning (ML) accelerates the exploration of material properties and their links to the structure of the underlying molecules. In previous work [Shi et al. ACS Applied Materials & Interfaces 2022, 14, 37161-37169.], ML models…
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Keywords:
polymer surface;
polymer;
accuracy;
surface ... See more keywords