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Published in 2024 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.4c01347
Abstract: Addressing the growing demand for sustainable materials, this research paves the way for the efficient consumption and sustainable production of branched polylactide (PLA). A novel hybrid modeling approach combines first-principles (FP) model with artificial neural…
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Keywords:
integration neural;
networks first;
polymerization;
first principles ... See more keywords