Due to local system maintenance on Tuesday, September 27th, nanoHUB will be unable to launch simulation jobs on clusters conte, rice, carter, and hansen. We apologize for any inconvenience.
Find information on common issues.
Ask questions and find answers from other users.
Suggest a new site feature or improvement.
Check on status of your tickets.
2005 Molecular Conduction and Sensors Workshop
0.0 out of 5 stars
25 May 2005 | Workshops
This is the 3rd in a series of annual workshops on Molecular Conduction. The prior workshops have been at Purdue University, W. Lafayette, IN (2003) and Nothwestern University, Evanston, IL...
2010 NCN@Purdue Summer School: Electronics from the Bottom Up
18 Jan 2011 | Workshops
Electronics from the Bottom Up seeks to bring a new perspective to electronic devices – one that is designed to help realize the opportunities that nanotechnology presents.
A Gentle Introduction to Nanotechnology and Nanoscience
4.5 out of 5 stars
13 Feb 2006 | Online Presentations | Contributor(s): Mark A. Ratner
While the Greek root nano just means dwarf, the nanoscale has become a giant focus of contemporary science and technology. We will examine the fundamental issues underlying the excitement...
A MATLAB code for Hartree Fock calculation of H-H ground state bondlength and energy using STO-4G
5.0 out of 5 stars
08 Aug 2006 | Downloads | Contributor(s): Amritanshu Palaria
Hartree Fock (HF) theory is one of the basic theories underlying the current understanding of the electronic structure of materials. It is a simple non-relativistic treatment of many electron...
A Primer on Scanning Tunneling Microscopy (STM)
04 Apr 2006 | Online Presentations | Contributor(s): Ron Reifenberger
Scanning Probe Microscopes and their remarkable ability to provide three-dimensional maps of surfaces at the nanometer length scale have arguably been the most important tool in establishing the...
A Python code for material composition lines - composition line utility
11 Sep 2013 | Downloads | Contributor(s): Amritanshu Palaria
In material science and chemical thermodynamics, phase diagrams play an important role. In composition-phase diagrams, compositions of the various components constitute, depending on how the...
ABINIT: First-Time User Guide
09 Jun 2009 | Teaching Materials | Contributor(s): Benjamin P Haley
This first-time user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We...
Active Photonic Nanomaterials: From Random to Periodic Structures
06 Feb 2006 | Online Presentations | Contributor(s): Hui Cao
Active photonic nanomaterials, which have high gain or large
nonlinearity, are essential to the development of nanophotonic
devices and circuits. In this talk, I will provide a review of our...
Additional Tutorials on Selected Topics in Nanotechnology
29 Mar 2011 | Workshops | Contributor(s): Gerhard Klimeck, Umesh V. Waghmare, Timothy S Fisher, N. S. Vidhyadhiraja
Select tutorials in nanotechnology, a part of the
2010 NCN@Purdue Summer School: Electronics from the Bottom Up.
AFM Metrology of Cellulose Nanocrystals
03 May 2011 | Online Presentations | Contributor(s): Robert J. Moon, Ryan Wagner
This talk discusses the characterization of cellulose nanocrystals via atomic force microscopy.
Aluminum: a safe, economical, high energy density material for energy storage, transport and splitting water to make hydrogen on demand
30 Mar 2009 | Online Presentations | Contributor(s): Jerry M. Woodall
In 1968, a team lead by the author discovered that liquid gallium saturated with aluminum at room temperature would split water into hydrogen gas, alumina and heat. More recently his current team...
An Experimentalists’ Perspective
19 Dec 2007 | Online Presentations | Contributor(s): Arunava Majumdar
This presentation was one of 13 presentations in the one-day forum,
"Excellence in Computer Simulation," which brought together a broad
set of experts to reflect on the future of...
Application-driven Co-Design: Using Proxy Apps in the ASCR Materials Co-Design Center
31 May 2012 | Online Presentations | Contributor(s): Jim Belak
Computational materials science is performed with a suite of applications that span the quantum mechanics of interatomic bonding to the continuum mechanics of engineering problems and phenomenon...
Atomic Force Microscopy
4.0 out of 5 stars
29 Nov 2005 | Online Presentations | Contributor(s): Arvind Raman
Atomic Force Microscopy (AFM) is an indispensible tool in nano science for the fabrication, metrology, manipulation, and property characterization of nanostructures. This tutorial reviews some of...
Atomic Picture of Plastic Deformation in Metals via Online Molecular Dynamics Simulations
01 Jun 2011 | Courses | Contributor(s): Alejandro Strachan
The main goal of this learning module is to introduce students to the atomic-level processes responsible for plastic deformation in crystalline metals and help them develop a more intuitive...
Atomic Picture of Plastic Deformation in Metals: Lab Assignment Handout
19 Jan 2010 | Teaching Materials | Contributor(s): Alejandro Strachan
In this lab students will perform online molecular dynamics (MD) simulations of metallic nanowires deformed uniaxially and analyze the results...
Atomic Picture of Plastic Deformation in Metals: Overview Lecture
24 Jan 2010 | Online Presentations | Contributor(s): Alejandro Strachan
The lecture describes the objectives of the learning module and provides the necessary background for the activities. We briefly discuss the following topics:
mechanical response of macroscopic...
Atomic Picture of Plastic Deformation in Metals: Prelab Lecture
This lecture provides a detailed description of the activities the students will perform in the lab. We present a tutorial with step by step instructions on how to run MD simulations using the...
Atomistic Alloy Disorder in Nanostructures
26 Feb 2007 | Online Presentations | 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...
Atomistic Material Science
03 Nov 2011 | Courses | Contributor(s): Alejandro Strachan
This course introduces first principles electronic structure calculations of materials properties and the concept of molecular dynamics (MD) simulations of materials focusing on the physics and...