
OnlineSimulation tutorial and assignment: bonding curves in H2 and He2 molecules
21 Feb 2015  Teaching Materials  Contributor(s): Alejandro Strachan
In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study bonding in two simple molecules: H2 and He2. The tutorial shows how to...
http://nanohub.org/resources/21952

OnlineSimulation tutorial and assignment: electronic structure and spin in O2 molecule
21 Feb 2015  Teaching Materials  Contributor(s): Alejandro Strachan
In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study the electronic structure and bonding in the O2 molecular. The...
http://nanohub.org/resources/21954

OnlineSimulation tutorial and assignment: electronic structure and spin of the O atom
21 Feb 2015  Teaching Materials  Contributor(s): Alejandro Strachan
In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study the electronic structure of the oxygen atom. The tutorial shows...
http://nanohub.org/resources/21956

Gustavo Medeiros Azevedo
http://nanohub.org/members/117712

FranckCondon Overlap Integrals
29 May 2014  Downloads  Contributor(s): Bryan M. Wong
FranckCondon Overlap Integrals: calculates the vibrational overlap integral between two nuclear wavefunctions using the formalism developed by Sharp and Rosenstock [J. Chem. Phys., 41, 3453 (1964)].
http://nanohub.org/resources/21030

IMA 2013 UQ: Bayesian Calibration of Molecular Dynamics Simulations for Composite Materials Properties
28 May 2014  Online Presentations  Contributor(s): Paul N. Patrone
In this talk, I discuss ongoing research whose goal is to determine, via Bayesian inference, an ensemble of inputs that represents a class of commercially important aminecured epoxies. We...
http://nanohub.org/resources/20312

Is nanotechnology more Materials Science or Physics oriented?
Closed  Responses: 1
I want to pursue nanotechnology as a field of higher study. Would I be better off going for a Physics degree, or a Materials Science degree? As a bachelor’s student, are there any...
http://nanohub.org/answers/question/1319

Marco Marín Suárez
http://nanohub.org/members/98339

NanoPlasticity Lab
02 Aug 2013  Tools  Contributor(s): Martin Hunt, Lei Cao, Alejandro Strachan, Marisol Koslowski
A phase field approach to plastic deformation in nano crystalline materials
http://nanohub.org/resources/nanoplasticity

Resources for Materials Science and Engineering
Ab initio electronic structure simulation tools
ABINIT
:ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made...
http://nanohub.org/wiki/MaterialScienceSimulationTools

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 compositionphase diagrams, compositions of the various components constitute, depending on how the...
http://nanohub.org/resources/19375

Yongjie Zou
http://nanohub.org/members/86382

Behzad Khezri
http://nanohub.org/members/85918

[Illinois] American Vacuum Society (AVS) Prairie Chapter Symposium 2012
04 Jun 2013  Workshops  Contributor(s): NanoBio Node
The focus for the 2012 AVS Prairie Chapter meeting is Materials for Energy.
http://nanohub.org/resources/18257

Buckypaper
17 Apr 2013  Presentation Materials  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
http://nanohub.org/resources/17607

Jimmy Mangalam
http://nanohub.org/members/77017

MSE 597GM Lecture 25: Transport in Rechargeable Batteries V
05 Dec 2012  Online Presentations  Contributor(s): R. Edwin García
http://nanohub.org/resources/16061

MSE 597GM Lecture 24: Transport in Rechargeable Batteries IV
05 Dec 2012  Online Presentations  Contributor(s): R. Edwin García
http://nanohub.org/resources/16060

MSE 597GM Lecture 23: Transport in Rechargeable Batteries III
04 Dec 2012  Online Presentations  Contributor(s): R. Edwin García
http://nanohub.org/resources/15920

MSE 597GM Project Feedback
28 Nov 2012  Online Presentations  Contributor(s): R. Edwin García
http://nanohub.org/resources/15922