
2010 NCN@Purdue Summer School: Electronics from the Bottom Up
18 Jan 2011  Workshops
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.
http://nanohub.org/resources/8878

Additional Tutorials on Selected Topics in Nanotechnology
29 Mar 2011  Workshops  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.
http://nanohub.org/resources/11041

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...
http://nanohub.org/members/28542

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...
http://nanohub.org/members/83576

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...
http://nanohub.org/members/56465

Chandra Veer Singh
http://nanohub.org/members/56131

Computational Investigation of Point Defect Formation and Migration in Nuclear Fuels
08 Mar 2012  Online Presentations  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...
http://nanohub.org/resources/13094

Computational Nanoscience, Lecture 17: TightBinding, and Moving Towards Density Functional Theory
21 Mar 2008  Teaching Materials  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...
http://nanohub.org/resources/4164

Computational Nanoscience, Lecture 18: Density Functional Theory and some Solid Modeling
21 Mar 2008  Teaching Materials  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...
http://nanohub.org/resources/4166

D Ray Johnson
Retired from ORNL Materials Science and Technology Division after 37 years.
http://nanohub.org/members/54782

Darwin Barayang Putungan
http://nanohub.org/members/43753

Density Functional Theory: A great physics success story
01 Mar 2012  Online Presentations  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...
http://nanohub.org/resources/13253

DFT calculations with Quantum ESPRESSO
07 Jul 2010  Tools  Contributor(s): Janam Jhaveri, Ravi Pramod Kumar Vedula, Alejandro Strachan, Benjamin P Haley
DFT calculations of molecules and solids
http://nanohub.org/resources/dftqe

Energies and Lifetimes with ComplexScaling
02 Apr 2012  Tools  Contributor(s): Daniel Lee Whitenack, Adam Wasserman
Calculate the resonance energies and lifetimes of a userdefined potential with a uniform complexscaling transformation.
http://nanohub.org/resources/cscale

First Principles NonEquilibrium Green's Function Modeling of Vacum and Oxide Barrier Tunneling
01 Dec 2008  Papers  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...
http://nanohub.org/resources/5957

From density functional theory to defect level in silicon: Does the “band gap problem” matter?
01 Oct 2008  Online Presentations  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....
http://nanohub.org/resources/5495

Hemanadhan M
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Kapil Adhikari
http://nanohub.org/members/91449

Matdcal
30 Jan 2008  Tools  Contributor(s): Kirk H. Bevan
Nonequilibrium Green's Function Density Functional Theory Simulator
http://nanohub.org/resources/Matdcal

MCW07 Exploring Trends in Conductance for WellDefined Single Molecule Circuits
04 Apr 2009  Online Presentations  Contributor(s): Mark S Hybertsen
In our recent research, we have been able to measure and characterize the impact of intrinsic molecular properties on the conductance of single molecule circuits formed with aminegold linkages....
http://nanohub.org/resources/3077