
Bionanotechnology: a different perspective
30 Apr 2008   Contributor(s):: Murali Sastry
The study of the synthesis, exotic properties, assembly/packaging and potential commercial application of nanomaterials is an extremely important topic of research that is expected to have farreaching global impact. The focus of my talk will be on an emerging branch of nanotechnology that...

Introduction to Quantum Dot Lab
31 Mar 2008   Contributor(s):: Sunhee Lee, Hoon Ryu, Gerhard Klimeck
The nanoHUB tool "Quantum Dot Lab" allows users to compute the quantum mechanical "particle in a box" problem for a variety of differentconfinement shapes, such as boxes, ellipsoids, disks, and pyramids. Users can explore, interactively, the energy spectrum and orbital shapes of new quantized...

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...

Finite Size Scaling and Quantum Criticality
02 Jan 2008   Contributor(s):: Sabre Kais
In statistical mechanics, the finite size scaling method provides a systematic way to extrapolate information about criticality obtained from a finite system to the thermodynamic limit. For quantum systems, the finite size corresponds not to the spatial dimension but to the number of elements in...

NanoElectronic MOdeling: NEMO
20 Dec 2007   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 science and engineering.Novel nanoelectronic devices such as quantum dots, nanowires, and ultrascaled...

Engineering Nanomedical Systems
16 Nov 2007   Contributor(s):: James Leary
This tutorial will cover general problems and approaches to the design of engineered nanomedical systems. An example to be covered is the engineering design of programmable multilayered nanoparticles (PMNP) to control a multisequence process of targeting to rare cells invivo, retargeting to...

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.

KIST/PU MultiComponent, MultiFunctional Nanomedical Systems for Drug/Gene Delivery
23 Oct 2007   Contributor(s):: James Leary
In this brief paper we describe some of our recent efforts to construct multicomponent, multifunctional nanomedical systems for delivery of therapeutic genes. We first describe the general philosophy of our approach. Then we describe three specific aspects of the overall construction in simple...

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.

Microscaled Biochips with Optically Active Surfaces for Near and Farfield Analysis of Cellular Fluorescence
31 Aug 2007   Contributor(s):: Huw Summers
The integration of thin (< 100 nm) metal films with microscaleoptical waveguides provides a route to controlled spatialexcitation of cellular fluorescence within a biochip platform.Surface bound electronplasma oscillations (surface plasmon waves)interact with photons to produce an...

What Can the TEM Tell You About Your Nanomaterial?
26 Feb 2007   Contributor(s):: Eric Stach
In this tutorial, I will present a brief overview of the ways that transmission electron microscopy can be used to characterize nanoscale materials. This tutorial will emphasize what TEM does well, as well where difficulties arise. In particular, I will discuss in an overview manner how...

Atomistic Alloy Disorder in Nanostructures
26 Feb 2007   Contributor(s):: Gerhard Klimeck
Electronic structure and quantum transport simulations are typically performed in perfectly ordered semiconductor structures. Bands and modes are defined resulting in quantized conduction and discrete states. But what if the material is fundamentally disordered? What if the disorder is at the...

Surprises on the nanoscale: Plasmonic waves that travel backward and spin birefringence without magnetic fields
08 Jan 2007 
As nanonphotonics and nanoelectronics are pushed down towards the molecular scale, interesting effects emerge. We discuss how birefringence (different propagation of two polarizations) is manifested and could be useful in the future for two systems: coherent plasmonic transport of nearfield...

Nanoparticles in Biology and Materials: Engineering the Interface through Synthesis
29 Jan 2007 
Monolayerprotected nanoparticles provide versatile tools for nanotechnology. In our research, we use these nanoparticles as building blocks for the creation of functional magnetic and electronic nanocomposite materials. Simultaneously, we are using these particles as scaffolds for biomolecular...

Nanotechnology and Occupational Safety and Health: What are the Issues, What do we know, and What is NIOSH Doing
21 Nov 2006   Contributor(s):: Chuck L Geraci
Nanotechnology and Occupational Safety and Health: What are the Issues, What do we know, and What is NIOSH Doing

NEMO 3D: Intel optimizations and Multiple Quantum Dot Simulations
03 Aug 2006   Contributor(s):: Anish Dhanekula, Gerhard Klimeck
NEMO3D is a nanoelectronic modeling tool that analyzes the electronic structure of nanoscopic devices. Nanoelectronic devices such as Quantum Dots (QDs) can contain millions of atoms,. Therefore, simulating their electronic structure, can take up to several days. In order to simulate and...

Nanotubes and Nanowires: Onedimensional Materials
17 Jul 2006 
What is a nanowire? What is a nanotube? Why are they interesting and what are their potential applications? How are they made? This presentation is intended to begin to answer these questions while introducing some fundamental concepts such as waveparticle duality, quantum confinement, the...

Engineering Nanomedical Systems
06 Mar 2006   Contributor(s):: James Leary
This tutorial discusses general problems and approaches to the design of engineered nanomedical systems. One example given is the engineering design of programmable multilayered nanoparticles (PMNP) to control a multisequence process of targeting to rare cells invivo, retargeting to...

Molecular Transport Structures: Elastic Scattering, Vibronic Effects and Beyond
13 Feb 2006   Contributor(s):: Mark Ratner, Abraham Nitzan,
Current experimental efforts are clarifying quite beautifully the nature of charge transport in socalled molecular junctions, in which a single molecule provides the channel for current flow between two electrodes. The theoretical modeling of such structures is challenging, because of the...