
Tutorial on Using MicelleMD
05 Apr 2006   Contributor(s):: Patrick Chiu, Kunal Shah, Susan Sinnott
This is a tutorial using MicelleMD. This includes the main capabilities, computation procedure, with format of files generated, and the simulation setup, which includes the material models implemented.

Mechanical Properties of Surfactant Aggregates at WaterSolid Interfaces
05 Apr 2006   Contributor(s):: Patrick Chiu, Kunal Shah, Susan Sinnott
This is a talk on the mechanical properties of surfactant aggregates at watersolid interfaces using MicelleMD. This includes silica indentations of micelles with comparison to experimental data and graphite indentation of Micelle.

Thermal Microsystems for OnChip Thermal Engineering
04 Apr 2006   Contributor(s):: Suresh V. Garimella
Electrothermal codesign at the micro and nanoscales is critical for achieving desired performance and reliability in microelectronic circuits. Emerging thermal microsystems technologies for this application area are discussed, with specific examples including a novel micromechanical...

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...

A Primer on Semiconductor Device Simulation
23 Jan 2006   Contributor(s):: Mark Lundstrom
Computer simulation is now an essential tool for the research and development of semiconductor processes and devices, but to use a simulation tool intelligently, one must know what's "under the hood." This talk is a tutorial introduction designed for someone using semiconductor device simulation...

NanoScale Device Simulations Using PROPHETPart II: PDE Systems
20 Jan 2006   Contributor(s):: yang liu,
Part II uses examples toillustrate how to build userdefined PDE systems in PROPHET.

NanoScale Device Simulations Using PROPHETPart I: Basics
20 Jan 2006   Contributor(s):: yang liu,
Part I covers the basics of PROPHET,including the setup of simulation structures and parameters based onpredefined PDE systems.

NanoScale Device Simulations Using PROPHET
20 Jan 2006   Contributor(s):: yang liu,
These two lectures are aimed to give a practical guide to the use of ageneral device simulator (PROPHET) available on nanoHUB. PROPHETis a partial differential equation (PDE) solver that offers usersthe flexibility of integrating new models and equations for theirnanodevice simulations. The...

Hierarchical Physical Models for Analysis of Electrostatic Nanoelectromechanical Systems (NEMS)
05 Jan 2006   Contributor(s):: Narayan Aluru
This talk will introduce hierarchical physical models and efficient computational techniques for coupled analysis of electrical, mechanical and van der Waals energy domains encountered in Nanoelectromechanical Systems (NEMS). Numerical results will be presented for several silicon...

Quantum Corrections for Monte Carlo Simulation
05 Jan 2006   Contributor(s):: Umberto Ravaioli
Size quantization is an important effect in modern scaled devices. Due to the cost and limitations of available full quantum approaches, it is appealing to extend semiclassical simulators by adding corrections for size quantization. Monte Carlo particle simulators are good candidates, because a...

VolQD: Graphics Hardware Accelerated Interactive Visual Analytics of Multimillion Atom Nanoelectronics Simulations
13 Dec 2005   Contributor(s):: wei qiao
In this work we present a hardwareaccelerated direct volume renderingsystem for visualizing multivariate wave functions in semiconductingquantum dot (QD) simulations. The simulation datacontains the probability density values of multiple electron orbitalsfor up to tens of millions of atoms,...

First Principlesbased Atomistic and Mesoscale Modeling of Materials
01 Dec 2005   Contributor(s):: Alejandro Strachan
This tutorial will describe some of the most powerful and widely used techniques for materials modeling including i) first principles quantum mechanics (QM), ii) largescale molecular dynamics (MD) simulations and iii) mesoscale modeling, together with the strategies to bridge between them....

Bandstructure in Nanoelectronics
01 Nov 2005   Contributor(s):: Gerhard Klimeck
This presentation will highlight, for nanoelectronic device examples, how the effective mass approximation breaks down and why the quantum mechanical nature of the atomically resolved material needs to be included in the device modeling. Atomistic bandstructure effects in resonant tunneling...

Modeling and Simulation of SubMicron Thermal Transport
26 Sep 2005   Contributor(s):: Jayathi Murthy
In recent years, there has been increasing interest in understanding thermal phenomena at the submicron scale. Applications include the thermal performance of microelectronic devices, thermoelectric energy conversion, ultrafast laser machining and many others. It is now accepted that...

Parallel Computing for Realistic Nanoelectronic Simulations
12 Sep 2005   Contributor(s):: Gerhard Klimeck
Typical modeling and simulation efforts directed towards the understanding of electron transport at the nanometer scale utilize single workstations as computational engines. Growing understanding of the involved physics and the need to model realistically extended devices increases the...

Quantum Dots
21 Jul 2005   Contributor(s):: Gerhard Klimeck
Quantum Dots are manmade artificial atoms that confine electrons to a small space. As such, they have atomiclike behavior and enable the study of quantum mechanical effects on a length scale that is around 100 times larger than the pure atomic scale. Quantum dots offer application...

2004 Computational Materials Science Summer School
07 Jun 2004 
This short course will explore a range of computational approaches relevant for nanotechnology.

Review of Several Quantum Solvers and Applications
11 Jun 2004   Contributor(s):: Umberto Ravaioli
Review of Several Quantum Solvers and Applications

Computational Methods for NEMS
16 Jun 2004   Contributor(s):: Narayan Aluru
Computational Methods for NEMS

Numerical Aspects of NEGF: The Recursive Green Function Algorithm
14 Jun 2004   Contributor(s):: Gerhard Klimeck
Numerical Aspects of NEGF: The Recursive Green Function Algorithm