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dc.contributor.authorHur, Kahyun
dc.contributor.authorHennig, Richard G.
dc.contributor.authorEscobedo, Fernando A.
dc.contributor.authorWiesner, Ulrich
dc.date.accessioned2016-02-25T13:41:39Z
dc.date.available2016-02-25T13:41:39Z
dc.date.issued2010
dc.identifier.citationHur K, Hennig RG, Escobedo FA, Wiesner U (2010) Mesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundation. J Chem Phys 133: 194108. Available: http://dx.doi.org/10.1063/1.3502680.
dc.identifier.issn0021-9606
dc.identifier.pmid21090855
dc.identifier.doi10.1063/1.3502680
dc.identifier.urihttp://hdl.handle.net/10754/598809
dc.description.abstractIn this work, we present a theoretical framework that unifies polymer field theory and density functional theory in order to efficiently predict ordered nanostructure formation of systems having considerable complexity in terms of molecular structures and interactions. We validate our approach by comparing its predictions with previous simulation results for model systems. We illustrate the flexibility of our approach by applying it to hybrid systems composed of block copolymers and ligand coated nanoparticles. We expect that our approach will enable the treatment of multicomponent self-assembly with a level of molecular complexity that approaches experimental systems. © 2010 American Institute of Physics.
dc.description.sponsorshipThis publication was based on work supported by Award No. KUS-C1-018-02, made by King Abdullah University of Science and Technology (KAUST). The calculations have been performed using computational resources of the Computational Center for Nanotechnology Innovation (CCNI) at Rensselaer Polytechnic Institute.
dc.publisherAIP Publishing
dc.titleMesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundation
dc.typeArticle
dc.identifier.journalThe Journal of Chemical Physics
dc.contributor.institutionCornell University, Ithaca, United States
kaust.grant.numberKUS-C1-018-02


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