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Computational Nanoscience, Lecture 9: Hard-Sphere Monte Carlo In-Class Simulation
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19 Feb 2008 | Teaching Materials | Contributor(s): Elif Ertekin, Jeffrey C Grossman
In this lecture we carry out simulations in-class, with guidance from the instructors. We use the HSMC tool (within the nanoHUB simulation toolkit for this course). The hard sphere system is one...
Computational Nanoscience, Pop-Quiz
15 May 2008 | Teaching Materials | Contributor(s): Elif Ertekin, Jeffrey C Grossman
This quiz summarizes the most important concepts which have covered in class so far related to Molecular Dynamics, Classical Monte Carlo Methods, and Quantum Mechanical Methods.University of...
Computational Nanoscience, Pop-Quiz Solutions
The solutions to the pop-quiz are given in this handout.University of California, Berkeley
Computer in Science Engineering: featuring nanoHUB.org
22 Apr 2010 | Papers
The current issue of Computing in Science and Engineering focuses on cyber-enabled nanotechnology, and nanoHUB.org is featured extensively throughout.
D Ray Johnson
Dynamics on the Nanoscale: Time-domain ab initio studies of quantum dots, carbon nanotubes and molecule-semiconductor interfaces
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31 Jan 2008 | Online Presentations | Contributor(s): Oleg Prezhdo
Device miniaturization requires an understanding of the dynamical response of materials on the nanometer scale. A great deal of experimental and theoretical work has been devoted to characterizing...
ECE 595E Numerical Simulations for Energy Applications
17 Jan 2013 | Courses | Contributor(s): Peter Bermel
Excellence in Computer Simulation
19 Dec 2007 | Workshops | Contributor(s): Mark Lundstrom, Jeffrey B. Neaton, Jeffrey C Grossman
Computational science is frequently labeled as a third branch of science - equal in standing with theory and experiment, and computational engineering is now an essential component of technology...
MIT Atomic Scale Modeling Toolkit
15 Jan 2008 | Tools | Contributor(s): daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley
Tools for Atomic Scale Modeling
NCN, nanoHUB, HUBzero: cyberinfrastructure for nanotechnology
10 Feb 2011 | Online Presentations | Contributor(s): Mark Lundstrom
Presentation made at the Workshop to Develop the Global Nanotechnology Network, Grenoble, France.
Northwestern University Initiative for Teaching Nanoscience
12 Aug 2008 | Tools | Contributor(s): Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.
Purdue School on High Performance and Parallel Computing
24 Nov 2008 | Workshops | Contributor(s): Alejandro Strachan, Faisal Saied
The goal of this workshop is to provide training in the area of high performance scientific computing for graduate students and researchers interested in scientific computing. The School will...
Session 4: Discussion
20 Dec 2007 | Online Presentations
Discussion led by Mark Allendorf, Sandia National Laboratory.
Thermoelectric Power Factor Calculator for Nanocrystalline Composites
18 Oct 2008 | Tools | Contributor(s): Terence Musho, Greg Walker
Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in a 2D Nanocrystalline Composite Structure using Non-Equilibrium Green's Functions
UV/Vis Spectra simulator
04 Mar 2008 | Tools | Contributor(s): Baudilio Tejerina
This tool computes molecular electronic spectra.
Virtual Kinetics of Materials Laboratory : Spinodal Decomposition
29 Jul 2008 | Tools | Contributor(s): Michael Waters, Alex Bartol, R. Edwin García
Applies the Classic Cahn-Hilliard Equation to Simulate the Chemical Segregation of Two Phases (2D)
Virtual Kinetics of Materials Laboratory: Spinodal Decomposition 3D
04 Aug 2008 | Tools | Contributor(s): Michael Waters, R. Edwin García, Alex Bartol
Simulates the Time-Dependent Segregation of Two Chemical Components