
Lecture 4B: Energy Exchange and Maxwell’s Demon
20 Aug 2008   Contributor(s):: Supriyo Datta
Objective: To incorporate distributed energy exchange processes into the previous models from lectures 1 through 3 which are based on a “Landauerlike picture” where the Joule heating associated with current flow occurs entirely in the two contacts.Although there is experimental evidence that...

Lecture 5A: Correlations and Entanglement
20 Aug 2008   Contributor(s):: Supriyo Datta
Objective: To relate the oneelectron picture used throughout these lectures to the more general but less tractable manyparticle picture that underlies it. We introduce this new viewpoint using the example of Coulomb blockaded electronic devices that are difficult to model within the picture...

Lecture 5B: Correlations and Entanglement
20 Aug 2008   Contributor(s):: Supriyo Datta
Objective: To relate the oneelectron picture used throughout these lectures to the more general but less tractable manyparticle picture that underlies it. We introduce this new viewpoint using the example of Coulomb blockaded electronic devices that are difficult to model within the picture...

Nanoelectronics and the Meaning of Resistance
20 Aug 2008   Contributor(s):: Supriyo Datta
The purpose of this series of lectures is to introduce the "bottomup" approach to nanoelectronics using concrete examples. No prior knowledge of quantum mechanics or statistical mechanics is assumed; however, familiarity with matrix algebra will be helpful for some topics. Day 1: What...

Matdcal
30 Jan 2008   Contributor(s):: Kirk Bevan
Nonequilibrium Green's Function Density Functional Theory Simulator

Nanoelectronic Modeling: Multimillion Atom Simulations, Transport, and HPC Scaling to 23,000 Processors
07 Mar 2008   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 structures the behavior of carriers and their interaction with their environment need to be fundamentally...

MCW07 Physics of Contact Induced Current Asymmetry in Transport Through Molecules
25 Feb 2008   Contributor(s):: Bhaskaran Muralidharan, owen 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) selfconsistent field (SCF) and the weakly coupled (strongly interacting) Coulomb Blockade (CB) regimes. The CB...

Exploring Physical and Chemical control of molecular conductance: A computational study
31 Jan 2008   Contributor(s):: Barry D. Dunietz

Application of the Keldysh Formalism to Quantum Device Modeling and Analysis
14 Jan 2008   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 formalism of Keldysh, Kadanoff, and Baym. The Markov assumption is not made, and the energy coordinate...

ElectronPhonon and ElectronElectron Interactions in Quantum Transport
14 Jan 2008   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 electronphonon interactions are important. We concentrate here on the most developed vertical quantum device,...

Can numerical “experiments” INSPIRE physical experiments?
20 Dec 2007   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 computational science and engineering.

Engineering at the nanometer scale: Is it a new material or a new device?
06 Nov 2007   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.

MCW07 Modeling MoleculeAssisted Transport in Nanotransistors
06 Nov 2007   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. One could imagine alternate device structures where molecules act as quantum dots rather than...

MCW07 Simple Models for Molecular Transport Junctions
13 Sep 2007   Contributor(s):: Misha Galperin, Abraham Nitzan, Mark 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.

MCW07 Modeling Chargingbased Switching in Molecular Transport Junctions
23 Aug 2007   Contributor(s):: Sina Yeganeh, Misha Galperin, Mark 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 successful in predicting both hysteresis and NDR behavior, and the model is elaborated with image charge...

Introduction to FETToy
03 Jul 2007   Contributor(s):: James K Fodor, Jing Guo
This learning module introduces nanoHUB users to the FETToy simulator. A brief introduction to FETToy is presented, followed by voiced presentations featuring the simulator in action. Upon completion of this module, users should be able to use this simulator to gain valuable insight into the...

Introduction to nanoMOS
02 Jul 2007   Contributor(s):: James K Fodor, Jing Guo
This learning module introduces nanoHUB users to the nanoMOS simulator. A brief introduction to nanoMOS is presented, followed by voiced presentations featuring the simulator in action. Upon completion of this module, users should be able to use this simulator to gain valuable insight into the...

Multigate Nanowire FET
18 May 2007   Contributor(s):: Mincheol Shin
3D simulator for silicon nanowire field effect transistors with multiple gates

Atomistic Green's Function Method 1D Atomic Chain Simulation
16 Apr 2007   Contributor(s):: Zhen Huang, Wei Zhang, Timothy S Fisher, Sridhar Sadasivam
Calculation of Thermal Conductance of an Atomic Chain

BNC Annual Research Symposium: Nanoscale Energy Conversion
23 Apr 2007   Contributor(s):: Timothy S Fisher
This presentation is part of a collection of presentations describing the projects, people, and capabilities enhanced by research performed in the Birck Center, and a look at plans for the upcoming year.