Thermodynamic Consistency in Variable-Level Coarse Graining of Polymeric Liquids
نویسندگان
چکیده
منابع مشابه
Multiscale coarse-graining of ionic liquids.
A recently developed multiscale coarse-graining (MS-CG) approach for obtaining coarse-grained force fields from fully atomistic molecular dynamics simulation is applied to the challenging case of the EMIM+NO3- ionic liquid. The force-matching in the MS-CG methodology is accomplished with an explicit separation of bonded and nonbonded forces. While the nonbonded forces are adopted from this forc...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2012
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.109.168301