In the present work, we have developed a simple but effective method to prepare superlong
vertically aligned carbon nanotubes (SLVA-CNT) and epoxy composite membranes, and we …

Bone morphogenetic protein-2 (BMP-2) plays a crucial role in osteoblast differentiation and
proliferation. Its effective therapeutic use for ectopic bone and cartilage regeneration …

We report a joint study using surface-specific sum-frequency vibrational spectroscopy and
ab initio molecular dynamics simulations, respectively, on a pristine hydrophobic (sub) …

Carbon dioxide (CO2) flooding is one of the very important industrial processes for
enhanced hydrocarbon recovery. Therefore, a better understanding of the CO2 solubility …

Carbone dioxide emissions have imposed serious threats on the environment and health.
As such, industrially viable CO2 storage and utilization technologies are of high demand …

We describe a method to impose constraints in a molecular dynamics simulation. A
technique developed to solve the special case of a linear topology (MILC SHAKE) is …

The efficient storage and transportation of natural gas is one of the most important enabling
technologies for use in energy applications. Adsorption in porous systems, which will allow …

The morphology of the C60/pentacene heterojunction is of interest for organic photovoltaic
applications, yet is not well characterized. With that in mind, all-atom molecular dynamics …

The structural properties of self-assembled monolayers of short 1-bromoalkanes and n-
alkanes on graphite were investigated by a combination of ultrahigh vacuum scanning …

We employ the molecular dynamics simulations to study the dynamics of acetanilide (ACN)
molecules placed on a flat surface of planar multilayer hexagonal boron nitride. We …