In this review, we outline the growing role that molecular dynamics simulation is able to play
as a design tool in drug delivery. We cover both the pharmaceutical and computational …

A significant challenge in the development of functional materials is understanding the
growth and transformations of anisotropic colloidal metal nanocrystals. Theory and …

At the nanoscale, the investigation of structural features becomes fundamental as we can
establish relationships between cluster geometries and their physicochemical properties …

While it is well established that nanoparticle shape can depend on equilibrium
thermodynamics or growth kinetics, recent computational work has suggested the …

This paper studied the behaviors of sintering between Ag nanoparticle (NP) and nanoflake
(NF) in the same size by molecular dynamics simulation. Before the sintering simulation, the …

Abstract Thermoresponsive poly (N-vinylcaprolactam)(PVCL) has received growing interest
due to a temperature-induced phase transition, which switches its solubility in aqueous …

Silver nanoparticles have been modeled by density functional theory calculations and ab
initio molecular dynamics simulations to explore their stability in air at room temperature …

Silver nanoparticles (AgNPs) coated with pH-responsive polymers have become a very
appealing “smart” nanocarrier for targeted drug delivery. To get a better understanding of the …

The photothermal effect is a special type of photoactivation based on the non-radiative
conversion of absorbed electromagnetic energy, increases the body's temperature. One of …

The preparation of stimuli-responsive metal nanoparticles is a key challenge in develo**
smart multifunctional nanoscale devices. The efficient strategy relies on coating of …