Over the past decade, hybrid strategies, which switch from a full-atomistic (FA) to a coarse-grained (CG) description in terms of a spatial coordinate, have become numerous [1-4]. Concurrently, parametrization procedures, which aim at generating an optimal CG model given a reference FA model, have also become common [5]. In this work, we develop a hybrid strategy which naturally attains a very efficient parametrization scheme. Our approach appears to be especially powerful for modeling multi-component mixtures. [1] M. Praprotnik, L. Delle Site, and K. Kremer. The Journal of Chemical Physics, 123(22):224106, 2005. [2] C. F. Abrams. The Journal of Chemical Physics, 123(23):234101, 2005. [3] B. Ensing et al. Journal of Chemical Theory and Computation, 3(3):1100-1105, 2007. [4] R. Potestio et al. Physical Review Letters, 110(10):108301, 2013. [5] W. G. Noid. The Journal of Chemical Physics, 139(9):090901, 2013.

Relative resolution: A hybrid strategy for molecular modeling

249th National Meeting (2015)

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Relative resolution: A hybrid strategy for molecular modeling<br />