Illinois Tools: NanoGromacs_Intro

07 May 2008 | Tools | Contributor(s): Dairui Chen, Jay Mashl, Nahil Sobh, Eric Jakobsson

Implementation of the popular molecular dynamics software suite GROMACS

https://nanohub.org/resources/nanogromacsdemo

UV/Vis Spectra simulator

04 Mar 2008 | Tools | Contributor(s): Baudilio Tejerina

This tool computes molecular electronic spectra.

https://nanohub.org/resources/uvspec

Boltzmann Transport Simulator for CNTs

20 Feb 2008 | Tools | Contributor(s): Zlatan Aksamija, Umberto Ravaioli

Simulate Electron transport in Single-walled carbon nanotubes using an upwinding discretization of the Boltzmann transport equation in the relaxation time approximation.

https://nanohub.org/resources/cntbte

BJT Lab

06 Feb 2008 | Tools | Contributor(s): Saumitra Raj Mehrotra, Abhijeet Paul, Gerhard Klimeck, Dragica Vasileska, Gloria Wahyu Budiman

This tool simulates a Bipolar Junction Transistor (BJT) using a 2D mesh. Powered by PADRE.

https://nanohub.org/resources/bjt

Carbon nanotube based fixed-fixed NEMS

28 Jan 2008 | Tools | Contributor(s): Pradeep Kumar Gudla, Aswin Kannan, Zhi Tang, Narayan Aluru

Simulates pull-in behavior of Carbon nanotube based NEMS with fixed-fixed boundary conditions, with and without Vander Waal's effect

https://nanohub.org/resources/CNTNEMSFF

Carbon nanotube based NEMS with cantilever structure

28 Jan 2008 | Tools | Contributor(s): Pradeep Kumar Gudla, Aswin Kannan, Zhi Tang, Narayan Aluru

Simulates pull-in behavior of Carbon nanotube based NEMS with cantilever boundary conditions, with and without Vander Waal's effect

https://nanohub.org/resources/CNTNEMSCANT

CNDO/INDO

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

Semi-empirical Molecular Orbital calculations.

https://nanohub.org/resources/CNDO

BioMOCA Suite

04 Feb 2008 | Tools | Contributor(s): David Papke, Reza Toghraee, Umberto Ravaioli, Ankit Raj

Simulates ion flow through a channel.

https://nanohub.org/resources/BMCsuite

Molecular Structure Tracer

05 Feb 2008 | Tools | Contributor(s): Baudilio Tejerina

This tool provides a high quality display of molecular structures.

https://nanohub.org/resources/MolST

Drift-Diffusion Lab

22 Jan 2008 | Tools | Contributor(s): Saumitra Raj Mehrotra, Abhijeet Paul, Gerhard Klimeck, Gloria Wahyu Budiman

Simulate single semiconductor characteristics

https://nanohub.org/resources/semi

Periodic Potential Lab

19 Jan 2008 | Tools | Contributor(s): Abhijeet Paul, Junzhe Geng, Gerhard Klimeck

Solve the time independent schrodinger eqn. for arbitrary periodic potentials

https://nanohub.org/resources/kronig_penney

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

Nanosphere Optics Lab Field Simulator

09 Aug 2007 | Tools | Contributor(s): Baudilio Tejerina, Tyler Takeshita, Logan Ausman, George C. Schatz

Study of the Electric field induced by Light-Nanoparticle interaction.

https://nanohub.org/resources/nsoptics3D

Carrier Statistics Lab

08 Jan 2008 | Tools | Contributor(s): Saumitra Raj Mehrotra, Abhijeet Paul, Gerhard Klimeck

Calculate the electron & hole density in semiconductors

https://nanohub.org/resources/fermi

Crystal Viewer Tool

22 Dec 2007 | Tools | Contributor(s): Saumitra Raj Mehrotra, Michael Povolotskyi, Sebastian Steiger, Tillmann Christoph Kubis, Abhijeet Paul, Xingshu Sun, Victoria Savikhin, Gerhard Klimeck

Visualize different crystal lattices and planes

https://nanohub.org/resources/crystal_viewer

Nano Heatflow

25 Sep 2007 | Tools | Contributor(s): Joe Ringgenberg, P. Alex Greaney, daniel richards, Jeffrey C Grossman, Jeffrey B. Neaton, Justin Riley

Study the transfer of energy between the vibrational modes of a carbon nanotube.

https://nanohub.org/resources/nanoheatflow

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

QWalk Quantum Monte Carlo Tutorial

15 Jun 2007 | Tools | Contributor(s): Lucas Wagner, Jeffrey C Grossman, Jeffrey B. Neaton, Ian Michael Rousseau

An accurate method to calculate the many body ground state of electrons

https://nanohub.org/resources/qwalk

PNP Cyclic Peptide Ion Channel Model

04 Apr 2007 | Tools | Contributor(s): Brian Radak, Hyonseok Hwang, George C. Schatz, Mark A. Ratner

This tool simulates ion flow in a system modeled after cyclic peptide ion channels using Poisson-Nernst-Planck (PNP) theory.

https://nanohub.org/resources/pnppeptide

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