Tags: computational materials

Tools (1-6 of 6)

  1. Thermoelectric Power Factor Calculator for Nanocrystalline Composites

    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

  2. Northwestern University Initiative for Teaching Nanoscience

    12 Aug 2008 | | Contributor(s):: Baudilio Tejerina

    This package allows users to study and analyze of molecular properties using various electronic structure methods.

  3. Virtual Kinetics of Materials Laboratory: Spinodal Decomposition 3D

    04 Aug 2008 | | Contributor(s):: Michael Waters, R. Edwin Garcia, Alex Bartol

    Simulates the Time-Dependent Segregation of Two Chemical Components

  4. Virtual Kinetics of Materials Laboratory : Spinodal Decomposition

    29 Jul 2008 | | Contributor(s):: Michael Waters, Alex Bartol, R. Edwin Garcia

    Applies the Classic Cahn-Hilliard Equation to Simulate the Chemical Segregation of Two Phases (2D)

  5. UV/Vis Spectra simulator

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

    This tool computes molecular electronic spectra.

  6. MIT Atomic-Scale Modeling Toolkit

    15 Jan 2008 | | Contributor(s):: daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley

    Tools for Atomic-Scale Modeling