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

Introduction to Coulomb Blockade Lab
31 Mar 2008  Teaching Materials  Contributor(s): Bhaskaran Muralidharan, Xufeng Wang, Gerhard Klimeck
The tutorial is based on the Coulomb Blockade Lab available online at Coulomb Blockade Lab. Students are introduced to the concepts of level broadening and charging energies in artificial atoms...
http://nanohub.org/resources/4231

Coulomb Blockade Simulation
31 Mar 2008  Tools  Contributor(s): Xufeng Wang, Bhaskaran Muralidharan, Gerhard Klimeck
Simulate Coulomb Blockade through ManyBody Calculations in a single and double quantum dot system
http://nanohub.org/resources/coulombsim

Nanoelectronic Modeling: Multimillion Atom Simulations, Transport, and HPC Scaling to 23,000 Processors
07 Mar 2008  Online Presentations  Contributor(s): Gerhard Klimeck
Future field effect transistors will be on the same length scales as “esoteric” devices such as quantum dots,
nanowires, ultrascaled quantum wells, and resonant tunneling diodes. In those...
http://nanohub.org/resources/3988

MCW07 A Quantum Open Systems Approach to MolecularScale Devices
25 Feb 2008  Online Presentations  Contributor(s): Yongqiang Xue
Experimental advances in electrically and optically probing individual molecules have provided new insights into the behavior of single quantum objects and their interaction with the...
http://nanohub.org/resources/3090

MCW07 Physics of Contact Induced Current Asymmetry in Transport Through Molecules
25 Feb 2008  Online Presentations  Contributor(s): Bhaskaran Muralidharan, Owen D. Miller, Neeti Kapur, Avik Ghosh, Supriyo Datta
We first outline the qualitatively different physics involved in the charginginduced current asymmetries in molecular conductors operating in the strongly coupled (weakly interacting)...
http://nanohub.org/resources/3073

Exploring Physical and Chemical control of molecular conductance: A computational study
01 Feb 2008  Online Presentations  Contributor(s): Barry D. Dunietz
http://nanohub.org/resources/3945

Path Integral Monte Carlo
15 Jan 2008  Tools  Contributor(s): John Shumway, Matthew Gilbert
Tool Description
http://nanohub.org/resources/pimc

Application of the Keldysh Formalism to Quantum Device Modeling and Analysis
14 Jan 2008  Papers  Contributor(s): Roger Lake
The effect of inelastic scattering on quantum electron transport through layered semiconductor structures is studied numerically using the approach based on the nonequilibrium Green's function...
http://nanohub.org/resources/3833

ElectronPhonon and ElectronElectron Interactions in Quantum Transport
14 Jan 2008  Papers  Contributor(s): Gerhard Klimeck
The objective of this work is to shed light on electron transport through submicron semiconductor structures, where electronic state quantization, electronelectron interactions and...
http://nanohub.org/resources/3831

Can numerical “experiments” INSPIRE physical experiments?
20 Dec 2007  Online Presentations  Contributor(s): Supriyo Datta
This presentation was one of 13 presentations in the oneday forum,
"Excellence in Computer Simulation," which brought together a broad
set of experts to reflect on the future of...
http://nanohub.org/resources/3716

NanoElectronic MOdeling: NEMO
20 Dec 2007  Online Presentations  Contributor(s): Gerhard Klimeck
This presentation was one of 13 presentations in the oneday forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of computational...
http://nanohub.org/resources/3707

Carrier Transport at the Nanoscale
27 Nov 2007  Courses  Contributor(s): Mark Lundstrom
Fall 2007
Note: A more current teaching of this course with online lectures is available as ECE 656: Electronic Transport in Semiconductors (Fall 2011).
This is a course about how...
http://nanohub.org/resources/3589

Engineering at the nanometer scale: Is it a new material or a new device?
06 Nov 2007  Online Presentations  Contributor(s): Gerhard Klimeck
This seminar will overview NEMO 3D simulation capabilities and its deployment on the nanoHUB as well as an overview of the nanoHUB impact on the community.
http://nanohub.org/resources/3504

MCW07 Modeling MoleculeAssisted Transport in Nanotransistors
06 Nov 2007  Online Presentations  Contributor(s): Kamil Walczak
Molecular electronics faces many problems in practical device implementation, due to difficulties with fabrication and gateability. In these devices, molecules act as the main conducting channel....
http://nanohub.org/resources/3074

MCW07 Simple Models for Molecular Transport Junctions
13 Sep 2007  Online Presentations  Contributor(s): Misha Galperin, Abraham Nitzan, Mark A. Ratner
We review our recent research on role of interactions in molecular transport junctions. We consider simple models within nonequilibrium Green function approach (NEGF) in steadystate regime.
http://nanohub.org/resources/3072

MCW07 Electronic Level Alignment at MetalMolecule Contacts with a GW Approach
05 Sep 2007  Online Presentations  Contributor(s): Jeffrey B. Neaton
Most recent theoretical studies of electron transport in singlemolecule junctions rely on a Landauer approach, simplified to treat electronelectron interactions at a meanfield level within...
http://nanohub.org/resources/3094

MCW07 Modeling Chargingbased Switching in Molecular Transport Junctions
05 Sep 2007  Online Presentations  Contributor(s): Sina Yeganeh, Misha Galperin, Mark A. Ratner
We will discuss several proposed explanations for the switching and negative differential resistance behavior seen in some molecular junctions. It is shown that a proposed polaron model is...
http://nanohub.org/resources/3076

Electronics From the Bottom Up: a view of conductance
17 Aug 2007  Online Presentations  Contributor(s): Supriyo Datta
Resistance is one of the first concepts an electrical engineer
learns, but things get interesting at the nanoscale.
Experimentalists have found that no matter how short the resistor is, ...
http://nanohub.org/resources/2971

HCIS15 Lecture: Nanodevices and Maxwell’s Demon
23 Jul 2007  Online Presentations  Contributor(s): Supriyo Datta
The 15th International Conference on
Nonequilibrium Carrier Dynamics in Semiconductors (HCIS15) lecture.
This 30 minute lecture covers
roughly the same material as Lecture 1 of
Concepts of...
http://nanohub.org/resources/2966