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Exploring Electron Transfer with Density Functional Theory
out of 5 stars
11 Jun 2006 | | Contributor(s)::
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...
Exploring Materials Properties with Nanomaterial Mechanics Explorer Structure Files
24 Mar 2016 | | Contributor(s):: Tanya Faltens
This document describes how to generate and download simulation output files from the Nanomaterial Mechanics Explorer on nanoHUB and view them locally using OVITO.This can be particularly useful for more advanced manipulations of the trajectory files, and for sharing files with others, such as...
First Principles-based 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) large-scale molecular dynamics (MD) simulations and iii) mesoscale modeling, together with the strategies to bridge between them....
Giving Talks and Posters That People Would Actually Like to See
28 Jun 2006 | | Contributor(s):: Jerry M. Woodall
Other than getting a college degree, being able to communicate technical results to non experts (and even experts) in a simple and easily understandable way iscritical to a future successful career path.To this end I will discuss the elements of how to prepare both good power pointand poster...
HCIS-15 Lecture: Nanodevices and Maxwell’s Demon
23 Jul 2007 | | Contributor(s):: Supriyo Datta
The 15th International Conference onNonequilibrium Carrier Dynamics in Semiconductors (HCIS-15) lecture.This 30 minute lecture coversroughly the same material as Lecture 1 of Concepts of Quantum Transport.
Heat Transfer across Solid Contacts Enhanced with Nanomaterials
11 Feb 2008 | | Contributor(s):: Timothy S Fisher
This presentation will describe thermal transport processes at solid-solid material interfaces. An overview of applications in the electronics industry will serve to motivate the subject, and then the basic diffusive constriction theory will be developed. The addition of carbon nanotube arrays...
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...
Hierarchy of Simulation Approaches for Charge Transport Simulation
01 Aug 2008 | | Contributor(s):: Omar N Sobh, Umberto Ravaioli
General considerationsModel simulation hierarchyContinuum modelParticle Transport Monte Carlo modelExamples of simulationsUmberto Ravaioli - University of Illinois, Urbana-ChampaignNCN@Purdue Student Leadership TeamNetwork for Computational NanotechnologyThe Institute for Nanoelectronics and...
High Performance Computing Training Workshop
09 Oct 2007 |
The Computing Research Institute and the Rosen Center for Advanced Computing hosted a training workshop on High Performance Computing August 6 &7, and September 10 & 11, 2007. The goal of this workshop is to increase the attendees’ knowledge of parallel architectures and parallel programming on...
How Chemical Engineers Will Save the World
26 Mar 2009 | | Contributor(s):: William F. Banholzer
The world is facing massive challenges brought on by population growth, economic meltdowns, and environmental constraints. Scientific solutions are needed now more than ever. In this seminar, an overview of certain mega trends is presented – emphasizing how the skills possessed by chemical...
How to Breezify Your Presentation and Publish it on the nanoHUB
09 Jul 2006 | | Contributor(s):: Joseph M. Cychosz
This presentation gives a detailed overview of the process of creating an online presentation for the nanoHUB. It describes how to use Adobe-Macromedia's Breeze presentation tool in conjuction with Microsoft Powerpoint to create a narriated presentation, and how to upload it to the nanoHUB.
HPCW Condor: High Throughput Computing
09 Oct 2007 | | Contributor(s):: Thomas (Tom) Kesler
Condor is a research project of the University of Wisconsin. It offers an environment called "High Throughput Computing" for compute-intensive jobs. Condor can manage a collection of compute nodes and can harness wasted CPU power from otherwise idle workstations of a cluster or desktop. Condor...
HPCW High-end HPC Architectures
09 Oct 2007 | | Contributor(s):: Mithuna Thottethodi
HPCW Introduction to Parallel Programming with MPI
05 Dec 2007 | | Contributor(s):: David Seaman
Single-session courseillustrating message-passing techniques. The examples include point-to-pointand collective communication using blocking and nonblocking transmission. Oneapplication illustrates the manager/worker model with buffered communications.Code examples provided in C, C++, Fortran...
HPCW Parallel Programming Models
09 Oct 2007 | | Contributor(s):: Sam Midkiff
Huckel-IV on the nanoHub
09 Jul 2003 | | Contributor(s):: Magnus Paulsson, Ferdows Zahid, Supriyo Datta
Huckel-IV on the nanoHub
Insertion of Flash SWFs into Breeze Presentations
17 Aug 2006 | | Contributor(s):: Rick DeSutter, Joseph M. Cychosz
This guided tutorial explains the process for inserting movie files as Flash SWFs into your Adobe Macromedia Breeze presentation. Guided tutorials are available which explain the process of how to create Flash SWFs from movie files such as (.mov, .avi, .wmv, etc.) or fromanimated GIFs.
Introduction to BioMEMS and Bionanotechnology
27 Jul 2005 | | Contributor(s):: Rashid Bashir
BioMEMS and Bionanotechnology have the potential to make significant impact in a wide range of fields and applications. This lecture series introduces the basic concepts and topics underlying the interdisciplinary areas of BioMEMS and Bionanotechnology. Advances in this field require the...
Introduction to Condor
06 Apr 2006 | | Contributor(s):: Alain Roy
In this talk, Alain Roy introduces Condor and the Condor Project at a very high-level. Condor's matchmaking technologies are discussed, as well as Condor's grid capablities.
Dec 13 2016
Introduction to Jupyter Notebooks on nanoHUB - Tutorial