Articles with "accurate dynamics" as a keyword



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Coarse-Grained Water Model Development for Accurate Dynamics and Structure Prediction

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Published in 2022 at "ACS Omega"

DOI: 10.1021/acsomega.2c03857

Abstract: Several coarse-graining (CG) methods have been combined to develop a CG model of water capable of the accurate prediction of structure and dynamics properties. The multiscale coarse-graining (MS-CG) method based on force matching and the… read more here.

Keywords: coarse graining; structure; water; prediction ... See more keywords