Articles with "computational data" as a keyword



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Big Data in a Nano World: A Review on Computational, Data-Driven Design of Nanomaterials Structures, Properties, and Synthesis

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Published in 2022 at "ACS Nano"

DOI: 10.1021/acsnano.2c08411

Abstract: The recent rise of computational, data-driven research has significant potential to accelerate materials discovery. Automated workflows and materials databases are being rapidly developed, contributing to high-throughput data of bulk materials that are growing in quantity… read more here.

Keywords: nano; driven research; computational data; design ... See more keywords
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Combining multiple acquisition modes and computational data annotation for structural characterization in traditional Chinese medicine: Miao Nationality medicine Qijiao Shengbai Capsule as a case study

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Published in 2022 at "RSC Advances"

DOI: 10.1039/d2ra04720a

Abstract: Qijiao Shengbai Capsule (QSC) is a reputable Miao Nationality medicine used for treating leukopenia, but its chemical composition has not yet been elucidated. We herein present a strategy, by integrating multiple data acquisition, computational data… read more here.

Keywords: mass; computational data; acquisition modes; annotation ... See more keywords