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Published in 2025 at "CrystEngComm"
DOI: 10.1039/d5ce00096c
Abstract: This work presents a data-driven framework that integrates HT computations and ML to accelerate materials discovery, enabling efficient feature extraction, structure–property analysis, and performance prediction for various applications.
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Keywords:
property;
discovery uncharted;
materials property;
property discovery ... See more keywords