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1
Published in 2022 at "Macromolecular rapid communications"
DOI: 10.1002/marc.202200385
Abstract: Automated molecule design by computers has been an essential topic in materials informatics. Still, generating practical structures is not easy because of the difficulty in treating material stability, synthetic difficulty, mechanical properties, and other miscellaneous…
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Keywords:
automated design;
polymer;
design;
quantum inspired ... See more keywords
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2
Published in 2023 at "RSC Advances"
DOI: 10.1039/d3ra01982a
Abstract: Data-driven optimal structure exploration has become a hot topic in materials for energy-related devices. However, this method is still challenging due to the insufficient prediction accuracy of material properties and large exploration space for candidate…
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Keywords:
polymer electrolytes;
polymer;
solid polymer;
conductivity ... See more keywords