Large-scale molecular dynamics simulations of materials on parallel computers.

Scalable space-time multiresolution algorithms implemented on massively parallel computers enable large-scale molecular dynamics simulations involving up to a billion atoms, which are applied to the study of nanosystems of great technological importance. These include sintering, structure, and mechanical properties of nanostructured ceramics and nanocomposites, structural transformation in semiconductor nanocrystals, nanoindentation, and oxidation of metallic nanoparticles. © 2001 American Institute of Physics. [ABSTRACT FROM AUTHOR]