
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

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):: , 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, , 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...

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.

Highly Efficient Thermal Transport: The Application of Carbon Nanotube Array Interfaces
01 Feb 2007   Contributor(s):: Baratunde A. Cola
Carbon nanotubes (CNTs) have received much attention in recent years for their extraordinary properties that through careful engineering may be leverage for the development of numerous advantageous applications. However, to date, only few CNT based applications exist in the market place. So when...

McCoy Lecture: Nanodevices and Maxwell's Demon
04 Oct 2006   Contributor(s):: Supriyo Datta
This is a video taped live lecture covering roughly the same material as lecture 1 of "Concepts of Quantum Transport". Video only.

CQT Lecture 4: Coulomb blockade and Fock space
30 Nov 2006   Contributor(s):: Supriyo Datta
Objective: To illustrate the limitations of the model described in Lectures 2, 3 and introduce a completely different approach based on the concept of Fock space. I believe this will be a key concept in the next stage of development of transport physics.

CQT Lecture 3: Probabilities, Wavefunctions and Green Functions
30 Nov 2006   Contributor(s):: Supriyo Datta
Objective: To extend the simple model from Lecture 2 into the fullblown model combines the NEGF (NonEquilibrium Green Function) method with the Landauer approach.

CQT Lecture 2: Electrical Resistance  A Simple Model
30 Nov 2006   Contributor(s):: Supriyo Datta
Objective:To introduce a simple quantitative model for describing current flow in nanoscalestructures and relate it to wellknown large scale properties like Ohm’s Law.

CQT Lecture 1: Nanodevices and Maxwell's Demon
30 Nov 2006   Contributor(s):: Supriyo Datta
Objective: To illustrate the subtle interplay of dynamics and thermodynamicsthat distinguishes transport physics.

CQT Introduction
30 Nov 2006   Contributor(s):: Supriyo Datta
A short overview of this series of four lectures is given.

Understanding Phonon Dynamics via 1D Atomic Chains
04 Apr 2006   Contributor(s):: Timothy S Fisher
Phonons are the principal carriers of thermal energy in semiconductors and insulators, and they serve a vital role in dissipating heat produced by scattered electrons in semiconductor devices. Despite the importance of phonons, rigorous understanding and inclusion of phonon dynamics in...

Exploring Electron Transfer with Density Functional Theory
11 Jun 2006 
This talk will highlight several illustrative applications of constrained density functionaltheory (DFT) to electron transfer dynamics in electronic materials. The kinetics of thesereactions are commonly expressed in terms of well known Marcus parameters (drivingforce, reorganization energy and...

NanoMOS 3.0: FirstTime User Guide
06 Jun 2006   Contributor(s):: Kurtis Cantley, Mark Lundstrom
This tutorial is an introduction to the nanoMOS simulation tool for new users. Descriptions of input and output parameters are included, along with new features associated with the Rappture interface. There are also descriptions of nine examples that are loadable in the new version to help the...

Logic Devices and Circuits on Carbon Nanotubes
05 Apr 2006   Contributor(s):: Joerg Appenzeller
Over the last years carbon nanotubes (CNs) have attracted an increasing interest as building blocks for nanoelectronics applications. Due to their unique properties enabling e.g. ballistic transport at roomtemperature over several hundred nanometers, high performance CN fieldeffect transistors...