By averaging over atomic details, coarse-grained (CG) models provide profound
computational and conceptual advantages for studying soft materials. In particular, bottom …

Polymeric materials display distinguished characteristics which stem from the interplay of
phenomena at various length and time scales. Further development of polymer systems …

Molecular modeling and simulations are invaluable tools for the polymer science and
engineering community. These computational approaches enable predictions and provide …

Modern polymer science suffers from the curse of multidimensionality. The large chemical
space imposed by including combinations of monomers into a statistical copolymer …

This paper describes and provides Z1+, the successor of the Z-and Z1-codes for topological
analyses of mono-and polydisperse entangled linear polymeric systems, in the presence or …

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 …

This review presents the state of the art in molecular simulations of interfacial systems and of
the calculation of the surface tension from the underlying intermolecular potential. We …

Architectural coatings/paints play a very important role in our world, making our houses and
workplaces beautiful, comfortable, and energy-efficient. Polymeric components of coating …

Attributed to its strain-induced crystallization (SIC), natural rubber (NR) exhibits more
excellent mechanical properties compared to other elastomeric materials and has been …