Coarse-Grained Modeling of Nanoparticle Self-Assembly

I developed a generic Kremer–Grest based coarse-grained model of grafted nanoparticles to study their phase behavior in a polymer matrix. Extending this to non-spherical nanoparticles, I evaluated shear viscosity using molecular dynamics simulations and studied the anisotropic self-assembly of nanoparticles within a polymer matrix — work aimed at establishing structure–property design rules for polymer nanocomposites.