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MIT Atomic-Scale Modeling Toolkit
24 Jan 2008 | Tools | Contributor(s): daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley
Tools for Atomic-Scale Modeling
Northwestern University Initiative for Teaching Nanoscience
20 Aug 2008 | Tools | Contributor(s): Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.
Thermoelectric Power Factor Calculator for Nanocrystalline Composites
21 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
UV/Vis Spectra simulator
15 Apr 2008 | Tools | Contributor(s): Baudilio Tejerina
This tool computes molecular electronic spectra.
Virtual Kinetics of Materials Laboratory : Spinodal Decomposition
15 Aug 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)
Virtual Kinetics of Materials Laboratory: Spinodal Decomposition 3D
15 Aug 2008 | Tools | Contributor(s): Michael Waters, R. Edwin García, Alex Bartol
Simulates the Time-Dependent Segregation of Two Chemical Components