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and demonstrated in a few examples what one can expect from these models. In
particular, we have discussed the thermodynamic transferability of effective poten-
tials used in systematically coarse grained force field models and illustrated how to
obtain nonbonded interaction potentials with improved transferability for implicit
solvent electrolyte models and polymer melts. Poor transferability of effective
potentials, however, remains a concern in several of the systematic coarse graining
methods and requires further investigation in future. At the end of this contribution
we presented the standard generic coarse-grained model for polyelectrolyte solu-
tions. We argued why this might still be of interest for some large scale solution
properties, but also gave some examples which showed the need for the develop-
ment of more accurate models. Especially in the case of PEMs we still lack a
predictive model. For the case of implicit solvent representation we showed that
there are important cases like a nanopore where different dielectric regions are
present. Here we need fast algorithms that can deal with such situations under
various periodic boundary conditions and we gave some first results on the impor-
tant case of a DNA fragment in aqueous solution passing through a nanopore.
The field of multiscale modeling is rapidly developing, but due to its complexity
and wide area of applications, many more thorough investigations are still needed.
Specifically we tried to demonstrate that our own attempts for connecting detailed
information on the quantum level to coarse grained descriptions, and the subsequent
developments of systematic coarse-graining strategies, as well as refined implicit
solvent models for charged (macro-) molecules, might be worth following.
Acknowledgements The authors acknowledge fruitful collaborations with Dmytro Antypov,
Juan J. Cerda, Dominik Fritz, Berk Hess, Stefan Kesselheim, Vagelis Harmandaris, Kurt Kremer,
Hanjo Limbach, Christine Peter, Baofu Qiao, Marcello Sega, Sandeep Tyagi, and Alessandra
Villa. Funding from a Volkswagen grant, the SFB 625 TP:C5, DFG grant Ho/1108-17, and DFG
Clusters of Excellence 259 and 581 is gratefully acknowledged.
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