Gold nanoparticles (AuNP) are being used in a variety of applications ranging from drug
delivery systems to nano-coolants. The structure and surface properties of AuNP can be …

Coarse-grained (CG) molecular dynamics (MD) simulations were carried out to investigate
the dynamics of 2.2 nm monolayer-protected gold nanoparticles (AuNPs) in solvents. The …

Molecular dynamics simulations have been carried out to investigate the effect of alkane
thiol coverage density, terminal group and water solvent on the aggregation of thiol coated …

Understanding the kinetics of metal nanoparticle self-assembly on functionalized surfaces is
key for a variety of applications. In this work, we present a combined experimental and …

Gold nanoparticles (AuNPs) are employed as drug carriers due to their inertness, non-
toxicity, and ease of synthesis. An experimental search for the optimal AuNP design would …

Monolayer-protected gold nanoparticles (AuNPs) are a promising new class of
nanomaterials with applications in drug delivery, self-assembly, and biosensing. The …

Self-assembly of a cetyltrimethyl ammonium bromide (CTAB) surfactant on gold
nanoparticles (AuNPs) is studied using united-atom molecular dynamics (MD) simulations …

Molecular dynamics simulations are used to probe the structure and stability of
alkanethiolate self-assembled monolayers (SAMs) on gold nanoparticles. We observed that …

A monolayer of chemically prepared gold nanoparticles (AuNPs, with an initial average
particle size of 2.3 nm) was immobilized on three Au substrates with different roughness. 1, 4 …

The structural and thermal properties of the passivated gold nanoparticles were explored
employing molecular dynamics simulation for the different surface coverage densities of the …