Multiscale simulation methods for nanomaterials

Multiscale simulation methods for nanomaterials.

Ed. by Richard B. Ross and Sanat S. Mohanty.

Wiley-Interscience

2008

275 pages

$125.00

Hardcover

TK7874

Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap was the name of a National American Chemical Society symposium held in the fall of 2005 in Washington DC. Of the 40 presentations, 14 were selected as a broad representation of scaling methods, and have been expanded into the articles here. Chemists and related scientists discuss such matters as optimizing the electronic properties of carbon nanotubes using amphoteric doping, mesoscale simulations of surface-modified nanospheres in solvents, and modeling the thermal decomposition of large molecules and nanostructures.

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