In this work, we use computer simulations to demonstrate that there may be limits to which
polymer polarity alone can be used to influence the ionic conductivity of salt-doped polymer …

We study ternary polymer-polymer-salt blend electrolytes using coarse-grained molecular
dynamics. We specifically examine the influence of the polymer hosts' incompatibility and …

We develop a polymer field-theoretic model that incorporates explicit treatment of
semiflexibility and polar solvents, providing a framework to determine the impact of solvent …

We employ a combination of the single chain in mean field simulation approach with the
solution of Poisson's equation to study the influence of charge heterogeneities on the …

We use coarse-grained molecular dynamics to elucidate the influence of polydispersity on
the adsorption of polydisperse bulk polyanionic chains onto a monodisperse polycationic …

We employed a combination of single chain in mean field methodology and constant pH
Monte Carlo framework to compare the influence of charge regulation and charge …

We use direct simulations of particle–polyelectrolyte mixtures using the single chain in mean
field framework to extract the phase diagram for such systems. At high charges of the …

A combination of constant pH method and single chain in mean field simulations is
employed to probe the influence of charge regulation and charge heterogeneities on the …

A mixture of proteins and polyelectrolytes are widely used in applications such as food
systems, biosensors, protein purification, drug delivery. Experiments have demonstrated that …

Motivated by the need to improve the safety and energy density of lithium-ion batteries, we
explore polymer polarity as a design parameter for polymer electrolytes using molecular …