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DFT Material Properties Simulator
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10 Aug 2015 | Tools | Contributor(s): Gustavo Javier, Usama Kamran, David M Guzman, Alejandro Strachan, Peilin Liao
Compute electronic and mechanical properties of materials from DFT calculations with 1-Click
21 Jun 2012 | Tools | Contributor(s): Stephanie Michelle Sanchez, Ivan Santos, Stella Quinones
Calculate the carrier concentration for a semiconductor material as a function of doping and temperature.
15 Jun 2009 | Tools | Contributor(s): Lucas Wagner, Jeffrey C Grossman, Joe Ringgenberg, daniel richards, Alexander S McLeod, Eric Isaacs, Jeffrey B. Neaton
Use SIESTA to perform electronic structure calculations
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
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