Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern
statistical mechanics. It is an extension of the highly successful method of classical density …

Coarse‐grained (CG) modeling is an invaluable tool for the study of polymers and other soft
matter systems due to the span of spatiotemporal scales that typify their physics and …

Porous polymer and copolymer membranes are useful for ultrafiltration of functional
macromolecules, colloids, and water purification. In particular, block copolymer membranes …

We discuss the role coarse-grained models play in the investigation of the structure and
thermodynamics of bilayer membranes, and we place them in the context of alternative …

An understanding of the dispersion of nanoparticles into polymer melts is needed in order to
control material properties of polymer nanocomposites. Here we study the dispersion of …

Polymer mixtures such as blends or block copolymers are of great interest in energy
applications and functional materials, and often, one or more of these species contain …

The Polymer Reference Interaction Site Model (PRISM) theory describes the equilibrium
spatial correlations of liquid-like polymer systems including melts, blends, solutions, block …

This paper summarizes our efforts to develop fast algorithms for density functional theory
(DFT) calculations of inhomogeneous fluids. Our goal is to apply DFTs to a variety of …

This study compares different algorithms for solving the equations of classical density
functional theory for the one-dimensional vapor-liquid interface of real fluids: Picard iteration …

We present the set of bifurcation tracking algorithms which have been developed in the
LOCA software library to work with large scale application codes that use fully coupled …