-
Theoretical Electron Density Visualizer
Tools | 01 Jul 2008 | Contributor(s):: Baudilio Tejerina
TEDVis calculates and displays 3D maps of molecular ED and its derivatives from the wave function.
-
UV/Vis Spectra simulator
Tools | 04 Mar 2008 | Contributor(s):: Baudilio Tejerina
This tool computes molecular electronic spectra.
-
CNDO/INDO
Tools | 09 Oct 2007 | Contributor(s):: Baudilio Tejerina, Jeff Reimers
Semi-empirical Molecular Orbital calculations.
-
Periodic Potential Lab
Tools | 19 Jan 2008 | Contributor(s):: Abhijeet Paul, Junzhe Geng, Gerhard Klimeck
Solve the time independent schrodinger eqn. for arbitrary periodic potentials
-
ElectroMat
Tools | 27 Mar 2007 | Contributor(s):: Alexander Gavrilenko, Heng Li
Kronig-Penney Potential
-
Periodic Potential
Tools | 21 Feb 2007 | Contributor(s):: Heng Li, Alexander Gavrilenko
Calculation of the allowed and forbidden states in a periodic potential
-
CGTB
Tools | 15 Jun 2006 | Contributor(s):: Gang Li, yang xu, Narayan Aluru
Compute the charge density distribution and potential variation inside a MOS structure by using a coarse-grained tight binding model
-
Quantum Dot Lab
Tools | 12 Nov 2005 | 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, Hong-Hyun 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.