Coarse grained models of soft matter systems are generally state point dependent. While this also can be a severeproblem for all atom force elds the derivation of coarse grained potentials from averaged atomistic informationalways includes energetic and entropic contributions characteristic of the reference state point. Besides aspects ofrepresentability - which property should a specic coarse grained model faithfully represent?- this typically limitsthe range of applicability of a given model. For standard amorphous polymers usually temperature variations up toaround 20% are not a problem. This changes when one searches for structure formation and even more so when oneencounters a phase transition. The lecture will exemplify this for small amino acid sequences and in some more detailfor the isotropic to smectic phase transition of azobenzene liquid crystals. Though chemically not that a complexmolecular system, the latter is an especially demanding example because of the phase transition is rst order.

Coarse grained models for soft matter and the challenge of transferability

244th National Meeting (2012)

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