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WORKSHOP ON QUANTUM
AND SEMICLASSICAL MOLECULAR JULY 15-17, 2004 Center for Nonlinear
Studies |
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The workshop will cover
recent progress in our understanding of multiple timescale electronic and
vibrational dynamics of solvated molecules and molecular nanomaterials
including polymers and biomolecules. Understanding important features of
these dynamics leads to a variety of novel applications in
molecular-electronics, medicine and bio-technologies. Discussion of the
quantum mechanical (QM) and semiclassical (SC) molecular dynamics approach
to model electronic and nuclei dynamics within individual building blocks
of the nanostructures as well as their interactions between each other and
with the environment will be the main focus.
This Workshop Is Open To The Interested Public |
the classical molecular dynamics; (iv) quantum transport
phenomena; (v) calculations of the spectroscopic observables based on the
QM/SC molecular dynamics II. QM electronic
dynamics coupled to the classical nuclei dynamics; This
workshop will provide an open forum for active interaction between
theoreticians and computational physicist and chemists working in
different subfields of molecular nanosciences and utilizing molecular
dynamics simulation approach in their studies.
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