“School of Physics”
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| Paper IPM / P / 6900 |
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| Abstract: | |||||
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Considerable interest has been shown in the development of
interatomic and intermolecular potentials for use in the modeling
and simulation of the formation, function and properties of
nanostructures. In this review, we first present the theoretical
framework in which these potentials are employed in the
computational studies of the properties of nanoscale structures
and processes in condensed matter physics, chemistry and materials
modeling. We then discuss a set of state-of-the-art interatomic
and intermolecular potential energy functions that are widely used
in computational modeling at the nanoscale. The theoretical basis
of these potentials are also discussed. A brief discussion of the
direct measurement of interatomic and intermolecular potential
functions through the use of atomic force microscope is also
presented.
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