
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

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

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

Periodic Potential Lab
28 Jan 2008  Tools  Contributor(s): Abhijeet Paul, Junzhe Geng, Gerhard Klimeck
Solve the time independent schrodinger eqn. for arbitrary periodic potentials
http://nanohub.org/resources/kronig_penney

ElectroMat
17 May 2007  Tools  Contributor(s): Alexander Gavrilenko, Heng Li
KronigPenney Potential
http://nanohub.org/resources/electromat

Periodic Potential
21 Feb 2007  Tools  Contributor(s): Heng Li, Alexander Gavrilenko
Calculation of the allowed and forbidden states in a periodic potential
http://nanohub.org/resources/periodicpot

CGTB
16 Jun 2006  Tools  Contributor(s): Gang Li, Yang Xu, Narayan Aluru
Compute the charge density distribution and potential variation inside a MOS structure by using a coarsegrained tight binding model
http://nanohub.org/resources/cgtb

Quantum Dot Lab
12 Nov 2005  Tools  Contributor(s): Prasad Sarangapani, James Fonseca, Daniel F Mejia, James Charles, Woody Gilbertson, Tarek Ahmed Ameen, Hesameddin Ilatikhameneh, Andrew Roché, Lars Bjaalie, Sebastian Steiger, David Ebert, Matteo Mannino, HongHyun Park, Tillmann Christoph Kubis, Michael Povolotskyi, Michael McLennan, Gerhard Klimeck
Compute the eigenstates of a particle in a box of various shapes including domes, pyramids and multilayer structures.
http://nanohub.org/resources/qdot