Using atomistic molecular dynamics simulations we study solid and liquid crystalline columnar discotic phases formed by alkyl-substituted hexabenzocoronene mesogens. Correlations between the molecular structure, packing, and dynamical properties of these materials are established.
@article{arxiv.cond-mat/0607713,
title = {Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives},
author = {Denis Andrienko and Valentina Marcon and Kurt Kremer},
journal= {arXiv preprint arXiv:cond-mat/0607713},
year = {2009}
}