
Theoretical Electron Density Visualizer
01 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
04 Mar 2008  Tools  Contributor(s): Baudilio Tejerina
This tool computes molecular electronic spectra.
http://nanohub.org/resources/uvspec

CNDO/INDO
09 Oct 2007  Tools  Contributor(s): Baudilio Tejerina, Jeff Reimers
Semiempirical Molecular Orbital calculations.
http://nanohub.org/resources/CNDO

Periodic Potential Lab
19 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
27 Mar 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
15 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): Gerhard Klimeck, Lars Bjaalie, Sebastian Steiger, David Ebert, Tillmann Christoph Kubis, Matteo Mannino, Michael McLennan, HongHyun Park, Michael Povolotskyi
Compute the eigenstates of a particle in a box of various shapes including domes and pyramids.
http://nanohub.org/resources/qdot