Dissipative particle dynamics (DPD) is one of the most efficient mesoscale coarse-grained
methodologies for modeling soft matter systems. Here, we comprehensively review the …

Historically, the interlacing of strands at the molecular level has mainly been limited to
coordination polymers and DNA. Despite being proposed on a number of occasions, the …

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

The Kremer–Grest (KG) polymer model is a standard model for studying generic polymer
properties in molecular dynamics simulations. It owes its popularity to its simplicity and …

Polymer materials are multiscale systems by definition. Already the description of a single
macromolecule involves a multitude of scales, and cooperative processes in polymer …

For the simulations of polymeric systems, coarse‐grained (CG) molecular dynamics
simulations are computationally demanding not only because of their high computational …

The mechanical and physical properties of polymeric materials originate from the interplay of
phenomena at different spatial and temporal scales. As such, it is necessary to adopt …

A hierarchical (triple scale) simulation methodology is presented for the prediction of the
dynamical and rheological properties of high molecular-weight entangled polymer melts …

Process-directed self-assembly refers to processes that reproducibly trap the kinetics of
structure formation that ensues after a sudden change (“quench”) of the thermodynamic …

Abstract Hypothesis Wormlike micelles (WLMs) formed due to the self-assembly of
amphiphiles in aqueous solution have similar viscoelastic properties as polymers. Owing to …