Berkeley GW

27 Sep 2009 | Tools | Contributor(s): Alexander S McLeod, Peter Doak, Sahar Sharifzadeh, Jeffrey B. Neaton

This is an educational tool that illustrates the calculation of the electronic structure of materials using many-body perturbation theory within the GW approximation

https://nanohub.org/resources/berkeleygw

SIESTA

05 Mar 2008 | 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

https://nanohub.org/resources/siesta

Thermoelectric Power Factor Calculator for Superlattices

18 Oct 2008 | Tools | Contributor(s): Terence Musho, Greg Walker

Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in 1D Superlattice Structures using Non-Equilibrium Green's Functions

https://nanohub.org/resources/slpf

Thermoelectric Power Factor Calculator for Nanocrystalline Composites

18 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

https://nanohub.org/resources/nccpf

1D Heterostructure Tool

04 Aug 2008 | Tools | Contributor(s): Arun Goud Akkala, Sebastian Steiger, Jean Michel D Sellier, Sunhee Lee, Michael Povolotskyi, Tillmann Christoph Kubis, Hong-Hyun Park, Samarth Agarwal, Gerhard Klimeck

Poisson-Schrödinger Solver for 1D Heterostructures

https://nanohub.org/resources/1dhetero

AQME - Advancing Quantum Mechanics for Engineers

12 Aug 2008 | Tools | Contributor(s): Gerhard Klimeck, Xufeng Wang, Dragica Vasileska

One-stop-shop for teaching quantum mechanics for engineers

https://nanohub.org/resources/aqme

ABACUS - Assembly of Basic Applications for Coordinated Understanding of Semiconductors

16 Jul 2008 | Tools | Contributor(s): Xufeng Wang, Dragica Vasileska, Gerhard Klimeck

One-stop-shop for teaching semiconductor device education

https://nanohub.org/resources/abacus

MIT Atomic Scale Modeling Toolkit

15 Jan 2008 | Tools | Contributor(s): daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley

Tools for Atomic Scale Modeling

https://nanohub.org/resources/ucb_compnano

Simple Photonic Crystals

16 Aug 2007 | Tools | Contributor(s): Jing Ouyang, Xufeng Wang, Minghao Qi

Photonic Crystal characteristics in an easy way

https://nanohub.org/resources/phcband

StrainBands

15 Jun 2007 | Tools | Contributor(s): Joe Ringgenberg, Joydeep Bhattacharjee, Jeffrey B. Neaton, Jeffrey C Grossman, Eric Schwegler

Explore the influence of strain on first-principles bandstructures of semiconductors.

https://nanohub.org/resources/strainbands

CNTbands

14 Dec 2006 | Tools | Contributor(s): Gyungseon Seol, Youngki Yoon, James K Fodor, Jing Guo, Akira Matsudaira, Diego Kienle, Gengchiau Liang, Gerhard Klimeck, Mark Lundstrom, Ahmed Ibrahim Saeed

This tool simulates E-k and DOS of CNTs and graphene nanoribbons.

https://nanohub.org/resources/cntbands-ext

CNTphonons

30 May 2006 | Tools | Contributor(s): Marcelo Alejandro Kuroda, Salvador Barraza-Lopez, J. P. Leburton

Calculates the phonon band structure of carbon nanotubes using the force constant method.

https://nanohub.org/resources/cntphonons

CNT_bands

09 Sep 2005 | Tools | Contributor(s): Jing Guo, Akira Matsudaira

Computes E(k) and the density-of-states (DOS) vs. energy for a carbon nanotube

https://nanohub.org/resources/cntbands

MSL Simulator

17 Jun 2005 | Tools | Contributor(s): K. J. Cho

Easy-to-use interface for designing and analyzing electronic properties of different nano materials

https://nanohub.org/resources/msl