ITR: Large Scale Quantum Mechanical Simulations of Nanomechanics

University Of Kentucky Research Foundation, Lexington KY

Investigators

Abstract

EIA-0221916 Menon, Madhu University of Kentucky TITLE: ITR Large Scale Quantum Mechanical Simulations of Nonomechanics Large scale quantum mechanical simulations of nanomechanics of carbon nanotubes involving atoms in excess of 10,000 is underway using a collaborative effort involving material and computer scientists. Parallel software tools are being developed to accomplish this. The tools are based on a novel pipelined, parallel architecture designed to harness grid computing. The goal of the simulations is to study the potential benefits of nanomechanical applications of carbon nanotubes and use the results to guide experimental investigations.