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Resources (141-147 of 147)

1. QWalk Quantum Monte Carlo Tutorial

   Tools | 15 Jun 2007 | Contributor(s):: Lucas Wagner, Jeffrey C Grossman, Jeffrey B. Neaton, Ian Michael Rousseau

   An accurate method to calculate the many body ground state of electrons

2. Materials strength: does size matter? nanoMATERIALS simulation toolkit tutorial

   5.0 out of 5 stars 

   Online Presentations | 01 Feb 2007 | Contributor(s):: Alejandro Strachan

   Molecular dynamics (MD) is a powerful technique to characterize the fundamental, atomic-level processes that govern materials behavior and is playing an important role in our understanding of the new phenomena that arises in nanoscale and nanostructured materials and result in their unique...

3. Process Lab: Concentration-Dependent Diffusion

   0.0 out of 5 stars 

   Tools | 09 Oct 2006 | Contributor(s):: Shuqing (Victor) Cao, Yang Liu, Peter Griffin

   This modules simulates both the standard diffusion and concentration-dependent diffusion.

4. MSE 376 Nanomaterials

   0.0 out of 5 stars 

   Courses | 24 Oct 2006 | Contributor(s):: Mark C. Hersam

   "Nanomaterials," is an interdisciplinary introduction to processing, structure, and properties of materials at the nanometer length scale. The course will cover recent breakthroughs and assess the impact of this burgeoning field. Specific nanofabrication topics include epitaxy, beam...

5. nano-Materials Simulation Toolkit

   5.0 out of 5 stars 

   Tools | 08 Aug 2006 | Contributor(s):: Alejandro Strachan, Amritanshu Palaria, Ya Zhou, Janam Jhaveri

   Molecular Dynamics simulations of nano-materials

6. Molecular Dynamics Studies of Gaseous Transport

   0.0 out of 5 stars 

   Online Presentations | 05 Apr 2006 | Contributor(s):: Ki-Ho Lee, Jason Myers, Susan Sinnott

   Carbon nanotubes (CNTs) have generated a great deal of interest due to their unique properties. In this study, we examine the transport properties of various nanotubes using REBO-MD to determine the effects of diameter and chirality on transport mode. Both oxygen and methane were diffused through...

7. QC-Lab

   2.5 out of 5 stars 

   Tools | 14 Feb 2006 | Contributor(s):: Baudilio Tejerina

   Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules