
CNDO/INDO
29 Feb 2008  Tools  Contributor(s): Baudilio Tejerina, Jeff Reimers
Semiempirical Molecular Orbital calculations.
http://nanohub.org/resources/CNDO

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.
http://nanohub.org/resources/nuitns

Path Integral Monte Carlo
15 Jan 2008  Tools  Contributor(s): John Shumway, Matthew Gilbert
Tool Description
http://nanohub.org/resources/pimc

PieceWise Constant Potential Barriers Tool
08 Aug 2008  Tools  Contributor(s): Xufeng Wang, Samarth Agarwal, Gerhard Klimeck, Dragica Vasileska, Mathieu Luisier, Jean Michel D Sellier
Transmission and the reflection coefficient of a five, seven, nine, eleven and 2nsegment piecewise constant potential energy profile
http://nanohub.org/resources/pcpbt

Quantum and Semiclassical Electrostatics Simulation of SOI Trigates
04 Mar 2008  Tools  Contributor(s): HyungSeok Hahm, Andres Godoy
Generate quantum/semiclassical electrostatic simulation results for a simple Trigate structure
http://nanohub.org/resources/MCTrigate

Theoretical Electron Density Visualizer
07 Jul 2008  Tools  Contributor(s): Baudilio Tejerina
TEDVis calculates and displays 3D maps of molecular ED and its derivatives from the wave function.
http://nanohub.org/resources/tedvis

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 NonEquilibrium Green's Functions
http://nanohub.org/resources/nccpf

Thermoelectric Power Factor Calculator for Superlattices
08 Jan 2009  Tools  Contributor(s): Terence Musho, Greg Walker
Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in 1D Superlattice Structures using NonEquilibrium Green's Functions
http://nanohub.org/resources/slpf

UV/Vis Spectra simulator
15 Apr 2008  Tools  Contributor(s): Baudilio Tejerina
This tool computes molecular electronic spectra.
http://nanohub.org/resources/uvspec