… Here, we apply our approach to design peptides that wrap single-walled carbon nanotubes
(SWNTs) in a structurally specific manner, creating a richly textured molecular surface. …

… The authors envision computational nanotechnology’s role in … computational techniques
and provide a few recent examples derived from computer simulations of carbon nanotube…

… ), a unique carbon-nanotube-encapsulated-sulfur (S@CNT) cathode material with optimum
open-ring sizes (ORSs) on the CNT walls were designed using an integrated computational …

… Our model suggested by successfully computational design supplies a novel hybrid
composite … Our computational design also presents a new direction for achieving novel hybrid …

… whit functionalized multi-walled carbon nanotubes (MWCNTs). The … computational approach
was used to screening functional monomers and polymerization solvent for rational design …

… On the other hand, the junctions made of carbon nanotube units with the same chirality (…
design and implementation of various electronic logic functions based on carbon nanotubes …

… Detection limits as low as 10 −11 M have already been achieved using nanotube-based
sensors. We propose the design of a biosensor comprised of functionalized carbon nanotube …

This paper reports on the synthesis of a novel molecularly imprinted composite film using the
mathematical modeling. This composite was then used in the electrode modification for the …

… In Chapter 11 we consider the computational modelling of the thermalproperties of nanotubes,
and in particular the temperature dependence of their thermal conductivity and specific …

… properties in nanotubes. A review of these properties, obtained via computational modelling
… We first introduce the physics of carbon nanotubes, and then present the computational …