MIT Atomic-Scale Modeling Toolkit
15 Jan 2008 | Tools | Contributor(s): David A Strubbe, Enrique Guerrero, daniel richards, Elif Ertekin, Jeffrey C Grossman, Justin Riley
Tools for Atomic-Scale Modeling
SIESTA
05 Mar 2008 | Tools | Contributor(s): Lucas Wagner, Jeffrey C Grossman, Joe Ringgenberg, daniel richards, Alexander S McLeod, Eric Isaacs, Jeffrey B. Neaton
Use SIESTA to perform electronic structure calculations
Nanowire Tensile Deformation Lab
17 Aug 2010 | Tools | Contributor(s): Markus Buehler, Justin Riley, Joo-Hyoung Lee, Jeffrey C Grossman
Simulates tensile deformation of a copper nanowire
StrainBands
15 Jun 2007 | Tools | Contributor(s): Joe Ringgenberg, Joydeep Bhattacharjee, Jeffrey B. Neaton, Jeffrey C Grossman, Eric Schwegler
Explore the influence of strain on first-principles bandstructures of semiconductors.
MIT Tools for Energy Conversion and Storage
13 Sep 2009 | Tools | Contributor(s): Jeffrey C Grossman, Joo-Hyoung Lee, Varadharajan Srinivasan, Alexander S McLeod, Lucas Wagner
Atomic-Scale Simulation Tools to Explore Energy Conversion and Storage Materials
CNT Heterojunction Modeler
20 Mar 2008 | Tools | Contributor(s): Joe Ringgenberg, Joydeep Bhattacharjee, Jeffrey B. Neaton, Jeffrey C Grossman
Study the structure and electronic properties of carbon nanotubes with linear heterojunctions.
QWalk Quantum Monte Carlo Tutorial
15 Jun 2007 | Tools | 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
Nano Heatflow
25 Sep 2007 | Tools | Contributor(s): Joe Ringgenberg, P. Alex Greaney, daniel richards, Jeffrey C Grossman, Jeffrey B. Neaton, Justin Riley
Study the transfer of energy between the vibrational modes of a carbon nanotube.
Amorphous Silicon Generator
21 Oct 2010 | Tools | Contributor(s): Eric Carl Johlin, Lucas Wagner, Jeffrey C Grossman, Justin Riley, David Strubbe, Vardhan Solanki
a-Si:H Generator
Stretching simulation of an alpha-helical protein domain
10 Jan 2011 | Tools | Contributor(s): Markus Buehler, Justin Riley, Joo-Hyoung Lee, Jeffrey C Grossman
Uses steered molecular dynamics (SMD) to apply a tensile load to the ends of a molecule (such as an alpha-helical protein domain)
Crack Propagation Lab
06 Dec 2010 | Tools | Contributor(s): Markus Buehler, Justin Riley, Joo-Hyoung Lee, Jeffrey C Grossman
Models supersonic crack propagation in a 2D triangular lattice
Stretching Simulation of FCC Crystal
18 Nov 2010 | Tools | Contributor(s): Markus Buehler, Justin Riley, Joo-Hyoung Lee, Jeffrey C Grossman
This tool simulates a continuous expansion of an FCC crystal while measuring the energy, stresses, etc
Nanostructured Optoelectronics Toolbox
19 Oct 2009 | Tools | Contributor(s): Ian Michael Rousseau, Jeffrey C Grossman, Vladimir Bulovic, Polina Anikeeva
Examine charge and exciton transport in nanostructured optoelectonic devices