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

https://nanohub.org/resources/nccpf

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.

https://nanohub.org/resources/nuitns

Virtual Kinetics of Materials Laboratory: Spinodal Decomposition 3D

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

Simulates the Time-Dependent Segregation of Two Chemical Components

https://nanohub.org/resources/vkmlsd3d

Virtual Kinetics of Materials Laboratory : Spinodal Decomposition

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

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

https://nanohub.org/resources/vkmlsd

UV/Vis Spectra simulator

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

This tool computes molecular electronic spectra.

https://nanohub.org/resources/uvspec

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

https://nanohub.org/resources/ucb_compnano