Morphology of candidate high dielectric constant polymers

We perform all-atom molecular dynamics simulations of polymers which have been identified as promising candidates for high dielectric constant capacitor applications by single-chain density functional theory calculations. These include both organic polymers and those with SnF$_2$ substitutions. We determine the large-scale morphology of these polymers using both $NPT$ molecular dynamics simulations and a multistep thermodynamic integration technique.