Coarse-graining strategy for reducing multidispersity at fixed particle density: A dynamical study

We present a coarse-graining method aiming to reduce multidispersity in complex fluids using the example of the well-established bidisperse Lennard-Jones mixture discovered by Kob and Andersen. Our method foots on the iterative Boltzmann inversion scheme and is designed to conserve the total particle number. The preservation of the characteristic dynamics of this bidisperse mixture is the focus of our investigation. It turned out that it is indeed possible to find a one-particle model with similar dynamic features, like glass transition temperature, at the cost of structural similarity.