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

Virtual Kinetics of Materials Laboratory : Polycrystalline Growth and Coarsening

29 Jul 2008 | Tools | Contributor(s): Michael Waters, R. Edwin Garci­a, Alex Bartol

Simulates Growth, Impingement, and Coarsening of a Two Dimensional Polycrystal

https://nanohub.org/resources/vkmlpsgg

MD Simulation

31 Mar 2008 | Tools | Contributor(s): Sanket S Mahajan, Ganesh Subbarayan, Xufeng Wang

Code to perform Molecular Dynamics (MD) Simulations

https://nanohub.org/resources/mdsim

Low Field Mobility

28 Mar 2007 | Tools | Contributor(s): Mohamed Mohamed, Anjali Bharthuar, Umberto Ravaioli

Calculates low field electron mobility in III-V semiconductors using Rode's Method

https://nanohub.org/resources/lfmobility

CNDO/INDO

09 Oct 2007 | Tools | Contributor(s): Baudilio Tejerina, Jeff Reimers

Semi-empirical Molecular Orbital calculations.

https://nanohub.org/resources/CNDO

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

nano-Materials Simulation Toolkit

08 Aug 2006 | Tools | Contributor(s): Alejandro Strachan, Amritanshu Palaria, Ya Zhou, Janam Jhaveri

Molecular Dynamics simulations of nano-materials

https://nanohub.org/resources/matsimtk

SEST

16 Jun 2006 | Tools | Contributor(s): Gang Li, Zhi Tang, Huijuan Zhao, Narayan Aluru

Compute the strain effects on the thermal properties of bulk crystalline silicon

https://nanohub.org/resources/sest

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

QC-Lab

14 Feb 2006 | Tools | Contributor(s): Baudilio Tejerina

Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules

https://nanohub.org/resources/qclab

Quantum Dot Lab

12 Nov 2005 | Tools | Contributor(s): Gerhard Klimeck, Lars Bjaalie, Sebastian Steiger, David Ebert, Tillmann Christoph Kubis, Matteo Mannino, Michael McLennan, Hong-Hyun Park, Michael Povolotskyi

Compute the eigenstates of a particle in a box of various shapes including domes and pyramids.

https://nanohub.org/resources/qdot

Resonant Tunneling Diode Simulator

10 Oct 2005 | Tools | Contributor(s): Michael McLennan

Simulate 1D resonant tunneling devices and other heterostructures via ballistic quantum transport

https://nanohub.org/resources/rtd

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