Premium
Toy amphiphiles on the computer: What can we learn from generic models?
Author(s) -
Schmid Friederike
Publication year - 2009
Publication title -
macromolecular rapid communications
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.348
H-Index - 154
eISSN - 1521-3927
pISSN - 1022-1336
DOI - 10.1002/marc.200800750
Subject(s) - granularity , a priori and a posteriori , computer science , bilayer , amphiphile , simple (philosophy) , theoretical computer science , statistical physics , nanotechnology , biological system , materials science , membrane , physics , chemistry , polymer , philosophy , biochemistry , epistemology , copolymer , composite material , biology , operating system
Generic coarse‐grained models are designed such that they are (i) simple and (ii) computationally efficient. A priori, they do not aim at representing particular materials, but classes of materials, hence they can offer insight into universal properties of these classes. Here we review generic models for amphiphilic molecules and discuss applications in studies of self‐assembling nanostructures and the local structure of bilayer membranes, i.e., their phases and their interactions with nanosized inclusions. Special attention is given to the comparison of simulations with elastic continuum models, which are, in some sense, generic models on a higher coarse‐graining level. In many cases, it is possible to bridge quantitatively between generic particle models and continuum models, hence multiscale modeling works on principle. On the other side, generic simulations can help to interpret experiments by providing information that is not accessible otherwise.