Nanoelectronic Modeling Lecture 29: Introduction to the NEMO3D Tool

This presentation provides a very high level software overview of NEMO3D. The items discussed are:Modeling Agenda and MotivationTight-Binding Motivation and basic formula expressionsTight binding representation of strainSoftware structureNEMO3D algorithm flow NEMO3D parallelization scheme – original 1D spatial decompositionNEMO3D scaling on parallel computes from the year 2000 til 2007New 1D, 2D, and 3D spatial decomposition scheme and parallel performance52 million atom simulation demonstrationLearning Objectives:Convey a broad overview of the NEMO3D simulation engine. Student shall learn about the algorithmic coponents of geometry construction, atom position computaion, and electronic structure calculation.Student shall learn the need and usefulness of parallel computers to solve the NEMO3D problems.Student shall learn a demonstration of a software capability and validation.