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2004 Computational Materials Science Summer School
29 Aug 2005
This short course will explore a range of computational approaches relevant for nanotechnology.
Can nanoMATERIALSsimulation toolkit on nanohub simulate piezoelectric materials like ZnO?
Open | Responses: 1
Also are all the analysis in time domain? Can it do frequency domain analysis?
defining material and temperature,
Closed | Responses: 1
I need to define my material which is Si and SiC and then run it in different...
Follow up to material change quantum dot lab
Open | Responses: 3
Dear Dr Klimeck
Thank you very much for your feedback. We want to simulate a different material from GaAs such...
material change quantum dot lab
Quantum dot lab uses GaAs as material. I want to simulate a different material such as http://nanohub.org/answers/question/63
What mean by particle & grain?
What is difference between particle and grain?
ABACUS - Assembly of Basic Applications for Coordinated Understanding of Semiconductors
16 Jul 2008 | | Contributor(s):: Xufeng Wang, Dragica Vasileska, Gerhard Klimeck
One-stop-shop for teaching semiconductor device education
ABINIT: First-Time User Guide
09 Jun 2009 | | 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 discuss the default simulation (what happens if you don't change any inputs, and just hit "simulate") as...
AIDA: A tool for exhaustive enumeration of solutions to the quantized Frank-Bilby equation
05 Jan 2018 | | Contributor(s):: Ali Sangghaleh, Michael J. Demkowicz
We present a tool called Arrangement of Interface Dislocation Arrays (AIDA) for enumerating all dislocation networks that satisfy the quantized Frank-Bilby equation for any interface between cubic crystals with a single-atom basis, i.e. FCC/FCC, BCC/BCC, and FCC/BCC interfaces. The set of...
Band Structure Lab Demonstration: Bulk Strain
03 Jun 2009 | | Contributor(s):: Gerhard Klimeck
This video shows an electronic structure calculation of bulk Si using Band Structure Lab. Several powerful features of this tool are demonstrated.
16 Apr 2013 | | Contributor(s):: shaheen goel
the presentation gives a basic idea about the buckypaper and give breif details about the synthesis properties and applications of buckypaper
07 Jun 2008 | | Contributor(s):: Eldad Tamman
Simulate clusters configurations of nanomagnets
09 Oct 2007 | | Contributor(s):: Baudilio Tejerina, Jeff Reimers
Semi-empirical Molecular Orbital calculations.
DragonflyTV Nano – Using the Power of Television to Introduce Middle School Children to Nanotechnology
out of 5 stars
15 Jan 2009 | | Contributor(s):: Richard Hudson, Joan Freese, Angie Prindle, Lisa Regalla
DragonflyTV is a PBS science series for children, broadcast nationwide and on the internet. DragonflyTV models authentic science inquiry through its unique approach: In each episode, ordinary kids conduct their own inquiry-based investigations, modeling the inquiry process and communicating the...
Exascale Co-design for Materials in Extreme Environments: Heterogeneous Algorithms for Heterogeneous Architectures
30 May 2012 | | Contributor(s):: Timothy C. Germann
Computational materials scientists have been among the earliest and heaviest users of leadership-class supercomputers. The codes and algorithms which have been developed span a wide range of physical scales and have been useful not only for gaining scientific insight, but also as testbeds for...
Frontiers in Scanning Probe Microscopy
30 Nov 2006 |
From October 4- 6, 2006 the Birck Nanotechnology Center at Purdue University hosted a three day focused workshop on cutting edge SPM techniques that are under development throughout the world.The three day workshop featured thematically arranged invited talks. The workshop themes are broadly...
Illinois Center for Cellular Mechanics: Discovery through the Computational Microscope
09 Feb 2009 | | Contributor(s):: Klaus Schulten
Computational MicroscopeAll-atom molecular dynamics simulations have become increasingly popular as a toolto investigate protein function and dynamics. However, researchers are usuallyconcerned about the short time scales covered by simulations, the apparentimpossibility to model large and...