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Issue 29, 2013
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Hierarchical simulations of hybrid polymer–solid materials

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Complex polymer–solid materials have gained a lot of attention during the last 2–3 decades due to the fundamental physical problems and the broad spectrum of technological applications in which they are involved. Therefore, significant progress concerning the simulations of such hybrid soft–hard nanostructured systems has been made in the last few years. Simulation techniques vary from quantum to microscopic (atomistic) up to mesoscopic (coarse-grained) level. Here we give a short overview of simulation approaches on model polymer–solid interfacial systems for all different levels of description. In addition, we also present a brief outlook concerning the open questions in this field, from the point of view of both physical problems and computational methodologies.

Graphical abstract: Hierarchical simulations of hybrid polymer–solid materials

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Publication details

The article was received on 31 Jan 2013, accepted on 13 May 2013 and first published on 20 May 2013

Article type: Review Article
DOI: 10.1039/C3SM50330E
Citation: Soft Matter, 2013,9, 6696-6710
  • Open access: Creative Commons BY-NC license
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    Hierarchical simulations of hybrid polymer–solid materials

    K. Johnston and V. Harmandaris, Soft Matter, 2013, 9, 6696
    DOI: 10.1039/C3SM50330E

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