Chemical methods developed over the past two decades enable preparation of colloidal
nanocrystals with uniform size and shape. These Brownian objects readily order into …

The addition of nanoparticles (NPs) to a polymer matrix, forming a polymer nanocomposite
(PNC), is known to alter the microscopic dynamic processes of both species which leads to …

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

Nanocomposite coatings based on adding inorganic nanofillers in polymer matrix are a new
class of corrosion protection methods which show superior corrosion resistance and …

Materials for organic electronics are presently used in prominent applications, such as
displays in mobile devices, while being intensely researched for other purposes, such as …

The Martini model, a coarse‐grained force field initially developed with biomolecular
simulations in mind, has found an increasing number of applications in the field of soft …

Molecular dynamics simulations play an increasingly important role in the rational design of
(nano)-materials and in the study of biomacromolecules. However, generating input files …

Polylactic acid (PLA) is a widely used bioresorbable polymer in medical devices owing to its
biocompatibility, bioresorbability, and biodegradability. It is also considered a sustainable …

Phosphorylated chitosan (PCS) was applied to decorate montmorillonite under ultrasonic
catalysis to prepare organically modified exfoliated montmorillonite (PMT). It was …

We performed coarse-grained MD simulations of polymer nanocomposites with spherical
nanoparticles (NPs) on the basis of the Kremer–Grest model. Cases of “aggregated” and …