Amorphous Silicon Generator

21 Oct 2010 | Tools | Contributor(s): Eric Carl Johlin, Lucas Wagner, Jeffrey C Grossman, Justin Riley, David Strubbe

a-Si:H Generator

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.

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

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

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

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.

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

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

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

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

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.

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)

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