
2010 NCN@Purdue Summer School: Electronics from the Bottom Up
18 Jan 2011 
Electronics from the Bottom Up seeks to bring a new perspective to electronic devices – one that is designed to help realize the opportunities that nanotechnology presents.

Additional Tutorials on Selected Topics in Nanotechnology
29 Mar 2011   Contributor(s):: Gerhard Klimeck, Umesh V. Waghmare, Timothy S Fisher, N. S. Vidhyadhiraja
Select tutorials in nanotechnology, a part of the 2010 NCN@Purdue Summer School: Electronics from the Bottom Up.

Alexander S McLeod
A graduate from the Physics and Astrophysics programs at the University of California, Berkeley, I first began working in materials research and computational physics in the summer of 2008 as an...
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Ali Muhammad Malik
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AndrÃ© Schleife
Ph.D.: 2010, FriedrichSchillerUniversity, Jena, Germany;Postdoc: 20112013, Lawrence Livermore National Lab;since 2013, Blue Waters Assistant Professor, MatSE@UIUC
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Badel Hyder
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Bryan M. Wong
Prof. Bryan M. Wong is an assistant professor in the Department of Chemical & Environmental Engineering and Materials Science & Engineering Program at UC Riverside. He is listed in the Reviews in...
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Buddy Damm
I am interested in applying computational materials science tools to practicle issues in ferrous metallurgy in order to advance our understanding and applications of steels. My educational...
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Chandra Veer Singh
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Computational Investigation of Point Defect Formation and Migration in Nuclear Fuels
08 Mar 2012   Contributor(s):: Susan Sinnott
The stabilities of selected fission products are investigated as a function of stoichiometry in uranium oxide. The approach is density functional theory (DFT) that is used to calculate the incorporation and solution energies of solid and gaseous fission products at the anion and cation vacancy...

Computational Nanoscience, Lecture 17: TightBinding, and Moving Towards Density Functional Theory
21 Mar 2008   Contributor(s):: Elif Ertekin, Jeffrey C Grossman
The purpose of this lecture is to illustrate the application of the TightBinding method to a simple system and then to introduce the concept of Density Functional Theory. The motivation to mapping from a wavefunction to a densitybased description of atomic systems is provided, and the...

Computational Nanoscience, Lecture 18: Density Functional Theory and some Solid Modeling
21 Mar 2008   Contributor(s):: Elif Ertekin, Jeffrey C Grossman
We continue our discussion of Density Functional Theory, and describe the mostoften used approaches to describing the exchangecorrelation in the system (LDA, GGA, and hybrid functionals). We discuss as well the strengths and weaknesses of the LDA and present some examples of its use. Finally,...

D Ray Johnson
Retired from ORNL Materials Science and Technology Division after 37 years.
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Darwin Barayang Putungan
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Density Functional Theory: A great physics success story
23 Feb 2012   Contributor(s):: Kieron Burke
Density functional theory began with the work of Thomas and Fermi, at about the same time as Schroedinger wrote his famous equation. I will explain in general terms what density functional theory is and describe some problems of current interest.

DFT calculations with Quantum ESPRESSO
07 Jul 2010   Contributor(s):: Janam Jhaveri, Ravi Pramod Kumar Vedula, Alejandro Strachan, Benjamin P Haley
DFT calculations of molecules and solids

DrMohan L Verma
I want to learn ner tools for material characterization. Specially theoretical tools related to computational nanoscience. Solid state battery and other electrochemical device based materials are...
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Energies and Lifetimes with ComplexScaling
02 Apr 2012   Contributor(s):: Daniel Lee Whitenack, Adam Wasserman
Calculate the resonance energies and lifetimes of a userdefined potential with a uniform complexscaling transformation.

First Principles NonEquilibrium Green's Function Modeling of Vacum and Oxide Barrier Tunneling
01 Dec 2008   Contributor(s):: Kirk H. Bevan
Vacuum and oxide barrier electron tunneling phenomena have been studied at length for several decades. Yet with electron device barrier widths now commonly measured in atomic units, complex quantum mechanical phenomena such as wavefunction coupling, surface states, and interface bonds have begun...

From density functional theory to defect level in silicon: Does the “band gap problem” matter?
01 Oct 2008   Contributor(s):: Peter A. Schultz
Modeling the electrical effects of radiation damage in semiconductor devices requires a detailed description of the properties of point defects generated during and subsequent to irradiation. Such modeling requires physical parameters, such as defect electronic levels, to describe carrier...