A Grid-based bridging domain multiple-scale method for computational nanotechnology

Abstract

This paper presents an application-level Grid middleware framework to support a bridging domain multi-scale method fornumerical modeling and simulation in nanotechnology. The framework considers a multiple-length-scale model by designing specific domain-decomposition and communication algorithms based on Grid computing. The framework is designed to enable researchers to conductlarge-scale computing in computational nanotechnology through the use of Grid resources for exploring microscopic physical properties of materials without losing details of nanoscale physical phenomena. © Springer-Verlag Berlin Heidelberg 2005.