1-D Chain Dispersions

01 Sep 2011 | Tools | Contributor(s): Nicholas Roberts, Greg Walker

1-D Chain of atoms, bases and layers to produce phonon dispersion

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

2d Ideal Gas Molecular Dynamics

01 Sep 2011 | Tools | Contributor(s): Terence Musho, Greg Walker

Simulation of a 2d molecular gas with specified temperature boundary conditions

https://nanohub.org/resources/smdc

Atomic Stick-Slip

09 Nov 2009 | Tools | Contributor(s): Ashlie Martini, Jianguo Wu

Molecular dynamics simulation of atomic stick-slip friction

https://nanohub.org/resources/stickslip

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

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

Micelle

24 Jul 2006 | Tools | Contributor(s): Kunal Shah, Patrick Chiu, Jing Xu, Susan Sinnott

Parallel Molecular Dynamics (MD) code that models surfactant structures in water and at liquid/solid interfaces.

https://nanohub.org/resources/micelle

MIT Tools for Energy Conversion and Storage

13 Sep 2009 | Tools | Contributor(s): Jeffrey C Grossman, Joo-Hyoung Lee, Varadharajan Srinivasan, Alexander S McLeod, Lucas Wagner

Atomic-Scale Simulation Tools to Explore Energy Conversion and Storage Materials

https://nanohub.org/resources/nanoenergytools

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

Polymer Modeler

28 Jun 2010 | Tools | Contributor(s): Benjamin P Haley, Nate Wilson, Chunyu Li, Andrea Arguelles, Eugenio Jaramillo, Alejandro Strachan

Build thermoplastic polymer chains and run LAMMPS to relax the chains and study mechanical properties

https://nanohub.org/resources/polymod

REBO

24 Jul 2006 | Tools | Contributor(s): Wen-Dung Hsu, SeongJun Heo, Jing Xu, Susan Sinnott

???

https://nanohub.org/resources/rebomd

Temperature Accelerated Dynamics

03 May 2011 | Tools | Contributor(s): Justin Riley, Markus J. Buehler

Simulate temperature accelerated dynamics

https://nanohub.org/resources/tad