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Molecular dynamics simulation of the mesophase behaviour of a model bolaamphiphilic liquid crystal with a lateral flexible chain

This contribution presents a novel methodology that allows the efficient computer simulation of the self-assembly of complex polyphilic molecules with direct application to liquid crystals, surfactants, polymers, etc. This paper had immediate impact, opening collaborations with experimentalists (e.g. EPSRC grant EP/I018212 £168k ; EP/J010502; £336k), companies (P&G Case studentship, Z. Alam; alam.z@pg.com) and warranted an invitation to a Faraday Discussion (FD144). A further four follow-up papers have expanded these results, three of them appearing on the cover of their respective issues and one of them branded as a “hot article” by the journal editor (http://blogs.rsc.org/sm/category/hot-article/ ; search "self-organisation" )