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Tags: computational materials

Resources (1-20 of 36)

  1. Thermoelectric Power Factor Calculator for Nanocrystalline Composites

    18 Oct 2008 | Tools | 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

    http://nanohub.org/resources/nccpf

  2. Northwestern University Initiative for Teaching Nanoscience

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

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

    http://nanohub.org/resources/nuitns

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

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

    Simulates the Time-Dependent Segregation of Two Chemical Components

    http://nanohub.org/resources/vkmlsd3d

  4. Virtual Kinetics of Materials Laboratory : Spinodal Decomposition

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

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

    http://nanohub.org/resources/vkmlsd

  5. UV/Vis Spectra simulator

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

    This tool computes molecular electronic spectra.

    http://nanohub.org/resources/uvspec

  6. 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

    http://nanohub.org/resources/ucb_compnano

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