The synthesis of binary nanocrystal superlattices (BNSLs) enables the targeted integration
of orthogonal physical properties, such as photoluminescence and magnetism, into a single …

The varied transcriptomic response to nanoparticles has hampered the understanding of the
mechanism of action. Here, by performing a meta-analysis of a large collection of …

We perform a systematic application of the hybrid particle-field molecular dynamics
technique [Milano, et al., J. Chem. Phys., 2009, 130, 214106] to study interfacial properties …

In this work, we propose a combined computational and experimental study to investigate
the effect of bidispersity of polyethylene (PE) chains on the interface and interphase …

Monolayer-protected metal nanoparticles (NPs) are not only promising materials with a wide
range of potential industrial and biological applications, but they are also a powerful tool to …

In the present study, we propose, validate, and give first applications for large-scale systems
of coarse-grained models suitable for filler/polymer interfaces based on carbon black (CB) …

Leibler pioneered the idea that long enough matrix polymers of length P will spontaneously
dewet a chemically identical polymer layer, comprising chains of length N, densely end …

Grafting polymer chains on the surfaces of nanoparticles is a well-known route to control
their self-assembly and distribution in a polymer matrix. A wide variety of self-assembled …

We investigate the role played by the bidispersity of polymer chains on the local structure
and the potential of mean force (PMF) between silica nanoparticles (NPs) in a polystyrene …

We develop a three-dimensional self-consistent field-theoretic approach (3D-SCFT) for
polymer matrix nanocomposites of arbitrary geometries, eg, polymer-grafted nanoparticles …