Molecular Dynamics
and Ab Initio SCF-MO Modeling
of Nanogenerator
and Nanologic Circuit Molecules
This is an abstract
for a talk to be given at the
Fifth
Foresight Conference on Molecular Nanotechnology.
There will be a link from here to the full article when it is
available on the web.
Nanomolecules represent the ultimate in miniaturization and
will facilitate a revolution in engineering, chemistry, medicine,
computer technology, and many other fields. The specific
molecules we have studied are various substituted poly(phenylene
vinylenes) and modifications to these molecules. We have
simulated these molecules to determine the best candidate for
synthesis. We also modeled several different molecules which can
be "coupled" to our nanogenerator molecule for the
extraction of useful energy. Studies of several conductive
polymers have been conducted including poly(phenylene vinylene),
polyaniline and polycroconaine. Successfully coupling several
nanogenerator molecules in a particular architecture, can lead to
a design of the ultimate computer using these"logic circuits
molecules". By tailoring the composition and geometry of
these nanogenerator molecules, different excitation frequencies
can be used to excite different parts of the CPU of a
nanocomputer, similar to the way different stimuli excite
different parts of a human brain. The possibilities are enormous
because we would have a totally different way to program a
"nanocomputer" relative to the traditional way current
computers are programmed.
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