Multiscale molecular dynamics approaches to investigate non-equilibrium phenomena of colloidal assemblies

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Multiscale non-equilibrium phenomena occur over a wide range of length and time scales, such as in nanoparticle assemblies under the influence of external fields, and are often difficult to capture using a single simulation technique. The study of nanoparticle assembly away from equilibrium is amenable to multiscale methods. In recent years, hierarchical multiscale methods have been especially successful in building large chemically specific simulations of nanoparticle self-assembly in polymer nanocomposites. The project will focus on the development and implementation of multiscale approaches, such as molecular dynamics and stochastic rotation dynamics, to compute the properties of colloidal assemblies under the influence of external fields in 2 and 3 dimensions. This problem is of interest in a wide range of areas from control of plasmonic structures to energy transport in colloidal assemblies.