Tools (21-32 of 32)

1. MiniMol: Minimal Molecular Simulation Tool

   Tools | 18 Mar 2011 | Contributor(s):: Ellad B Tadmor, Ron Earle Miller, Ryan S Elliott

   Perform simple molecular dynamics and statics simulations.

2. Nanowire Tensile Deformation Lab

   Tools | 17 Aug 2010 | Contributor(s):: Markus Buehler, Justin Riley, Joo-Hyoung Lee, Jeffrey C Grossman

   Simulates tensile deformation of a copper nanowire

3. Polymer Modeler

   Tools | 28 Jun 2010 | Contributor(s):: Benjamin P Haley, Nate Wilson, Chunyu Li, Andrea Arguelles, Eugenio Jaramillo, Alejandro Strachan

   Build thermoplastic polymer chains and run LAMMPS to relax the chains and study mechanical properties

4. MIT Tools for Energy Conversion and Storage

   Tools | 13 Sep 2009 | 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

5. EPR - ESR

   Tools | 14 Apr 2009 | Contributor(s):: Baudilio Tejerina, Joshua Telser

   This program calculates the powder pattern EPR spectra of a 2-spin electronic system.

6. Thermoelectric Power Factor Calculator for Superlattices

   Tools | 18 Oct 2008 | Contributor(s):: Terence Musho, Greg Walker

   Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in 1D Superlattice Structures using Non-Equilibrium Green's Functions

7. Nano-Plasmonic Bowtie Antenna Simulator

   Tools | 18 Mar 2008 | Contributor(s):: Alexander S McLeod, Jeffrey B. Neaton, P. James Schuck, Eugene Song, Graham Chapman

   A tool for simulating the near-field enhancement effects of nano-scale bowtie antennae.

8. Thermoelectric Power Factor Calculator for Nanocrystalline Composites

   Tools | 18 Oct 2008 | 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

9. UV/Vis Spectra simulator

   Tools | 04 Mar 2008 | Contributor(s):: Baudilio Tejerina

   This tool computes molecular electronic spectra.

10. Quantum and Semi-classical Electrostatics Simulation of SOI Trigates

    Tools | 19 Feb 2008 | Contributor(s):: Hyung-Seok Hahm, Andres Godoy

    Generate quantum/semi-classical electrostatic simulation results for a simple Trigate structure

11. CNDO/INDO

    Tools | 09 Oct 2007 | Contributor(s):: Baudilio Tejerina, Jeff Reimers

    Semi-empirical Molecular Orbital calculations.

12. Nano Heatflow

    Tools | 25 Sep 2007 | 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.