|
 Nanoscience
simulation comprises of computer simulation
of nanomaterials, nanostructures and
processes for making the above two. This
area is at the cutting edge of research in
physics, chemistry and biology, as well as
various emgineering disciplines. While
signifiacnt strides have been made in
experimental nanoscience R&D,
simulation-driven activities have just taken
off; the field largely lacks a rational
design approach. Many promising new
materials and device prototypes have been
discovered,the tools and data are still
missing that would enable the design of
materials and nanostructures to deliver a
particular end-use application. The key
challenge is to make correct approximations,
validate the models of physical pheonoema,
and harness the computing power of large
HPCs availbale to simulate systems of
significant dimensions. Nanoscale sytems
exhibit their unique optical, electrical,
magnetic, and structural properties which
are not seen in their bulk counterparts. For
estimating these properties, sufficient
number of atoms/molecules must be included
in the simulation domain. In the past, this
was virtually impossible to do because of
the limited computing power. With the advent
of HPCs at attractive price points, these
projects have become feasible. The
Nanoscience group in CRL has diverse
capabilities in solid state physics, quantum
chemistry, particle phenomena and
fabrication processes. The group also
leverages the skills available in other
groups in the areas of parallel prgramming,
numerical methods and performance tuning.
Currently the group is undertaking projects
in the areas of carbon nanotube properties,
gold particles and flow in porous media.
|
