Articles with "equilibrated configurations" as a keyword



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Efficient compressed database of equilibrated configurations of ring-linear polymer blends for MD simulations

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Published in 2022 at "Scientific Data"

DOI: 10.1038/s41597-022-01138-3

Abstract: To effectively archive configuration data during molecular dynamics (MD) simulations of polymer systems, we present an efficient compression method with good numerical accuracy that preserves the topology of ring-linear polymer blends. To compress the fraction… read more here.

Keywords: compression; polymer blends; ring linear; equilibrated configurations ... See more keywords