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