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

http://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

http://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

http://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

http://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

http://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

http://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

http://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

http://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

http://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.

http://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.

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

CNTphonons

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

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

http://nanohub.org/resources/cntphonons

Band Structure Lab

19 May 2006 | Tools | Contributor(s): Abhijeet Paul, Mathieu Luisier, Neophytos Neophytou, Raseong Kim, Junzhe Geng, Michael McLennan, Mark Lundstrom, Gerhard Klimeck

Computes the electronic structure of various materials in the spatial configuration of bulk (infinitely periodic), quantum wells (confined in one dimension, infinitely periodic in 2 dimensions), and …

http://nanohub.org/resources/bandstrlab

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

http://nanohub.org/resources/cntbands

MSL Simulator

17 Jun 2005 | Tools | Contributor(s): Kyeongjae Cho

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

http://nanohub.org/resources/msl