Accelerating Scientific Discovery Through Computation and Visualization III. Tight-Binding Wave Functions for Quantum Dots

James S Sims; William L George; Terence J Griffin; John G Hagedorn; Howard K Hung; John T Kelso; Marc Olano; Adele P Peskin; Steven G Satterfield; Judith Devaney Terrill; Garnett W Bryant; Jose G Diaz

doi:10.6028/jres.113.010

Accelerating Scientific Discovery Through Computation and Visualization III. Tight-Binding Wave Functions for Quantum Dots

J Res Natl Inst Stand Technol. 2008 Jun 1;113(3):131-42. doi: 10.6028/jres.113.010. Print 2008 May-Jun.

Affiliations

¹ Math and Computational Sciences Division (ITL), National Institute of Standards and Technology, Gaithersburg, MD 20899-8911.
² Atomic Physics Division (PL), National Institute of Standards and Technology, Gaithersburg, MD 20899-8423.

Abstract

This is the third in a series of articles that describe, through examples, how the Scientific Applications and Visualization Group (SAVG) at NIST has utilized high performance parallel computing, visualization, and machine learning to accelerate scientific discovery. In this article we focus on the use of high performance computing and visualization for simulations of nanotechnology.

Keywords: MPI; RAVE; high-performance computing; nanotechnology; parallel computing; quantum dots; tight-binding; virtual measurements; visualization.