Unifying Polymer DFT with SCFT and DPD:  Phase behavior and self-assembly of associating polymers

Free energy perturbation theories are dominant models for scientific calculations of fluid properties and phase behavior. Extensions to density functional theories have allowed prediction of phase behavior, interfacial properties, self-assembly, and properties of confined fluids. Related methods such as self-consistent field theory and dissipative particle dynamics have also shown great success in modeling co-polymer self-assembly. In this talk, we describe the approximations necessary to provide a statistical mechanical link between these methods. These advances promise to provide models and transferable model parameters that scale across these systems, allowing the user to move seamlessly from molecular models for bulk fluid phase behavior to mesoscale models of self-assembly and finally to molecular simulation, matching the level of model complexity to the system and properties of interest. We demonstrate different levels of theory for associating linear and branched block copolymers and grafted polymers in explicit or implicit solvent.