Nanoelectronic Modeling Lecture 29: Introduction to the NEMO3D Tool

By Gerhard Klimeck

Electrical and Computer Engineering, Purdue University, West Lafayette, IN

Published on


This presentation provides a very high level software overview of NEMO3D. The items discussed are:

  • Modeling Agenda and Motivation
  • Tight-Binding Motivation and basic formula expressions
  • Tight binding representation of strainSoftware structure
  • NEMO3D algorithm flow
  • NEMO3D parallelization scheme – original 1D spatial decomposition
  • NEMO3D scaling on parallel computes from the year 2000 til 2007
  • New 1D, 2D, and 3D spatial decomposition scheme and parallel performance
  • 52 million atom simulation demonstration

Learning Objectives:

  1. Convey a broad overview of the NEMO3D simulation engine.
  2. Student shall learn about the algorithmic coponents of geometry construction, atom position computaion, and electronic structure calculation.
  3. Student shall learn the need and usefulness of parallel computers to solve the NEMO3D problems.
  4. Student shall learn a demonstration of a software capability and validation.

Cite this work

Researchers should cite this work as follows:

  • Gerhard Klimeck (2010), "Nanoelectronic Modeling Lecture 29: Introduction to the NEMO3D Tool,"

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Università di Pisa, Pisa, Italy