Description

Tools (41-54 of 54)

1. Temperature Accelerated Dynamics

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

   Simulate temperature accelerated dynamics

2. nanoMATERIALS nanoscale heat transport

   0.0 out of 5 stars 

   Tools | 03 Nov 2010 | Contributor(s):: Keng-Hua Lin, Sean Sullivan, Mathew Joseph Cherukara, Alejandro Strachan, Tianli Feng, Xiulin Ruan, Bo Qiu

   Non-equilibrium MD simulations of heat transport in nano-materials

3. MiniMol: Minimal Molecular Simulation Tool

   0.0 out of 5 stars 

   Tools | 18 Mar 2011 | Contributor(s):: Ellad B Tadmor, Ron Earle Miller, Ryan S Elliott

   Perform simple molecular dynamics and statics simulations.

4. Stretching simulation of an alpha-helical protein domain

   0.0 out of 5 stars 

   Tools | 10 Jan 2011 | Contributor(s):: Markus Buehler, Justin Riley, Joo-Hyoung Lee, Jeffrey C Grossman

   Uses steered molecular dynamics (SMD) to apply a tensile load to the ends of a molecule (such as an alpha-helical protein domain)

5. MOLpull: A tool for molecular free energy reconstruction along a pulling coordinate

   0.0 out of 5 stars 

   Tools | 24 Aug 2010 | Contributor(s):: Lisa Felberg, Ignacio Franco, Martin McCullagh, Mark Ratner, George C. Schatz, Marcelo Carignano

   Estimates the force required for stretching a molecule and determines the potential of mean force along the extension coordinate.

6. Polymer Modeler

   3.5 out of 5 stars 

   Tools | 28 Jun 2010 | 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

7. Atomic Stick-Slip

   0.0 out of 5 stars 

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

   Molecular dynamics simulation of atomic stick-slip friction

8. MIT Tools for Energy Conversion and Storage

   0.0 out of 5 stars 

   Tools | 13 Sep 2009 | 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

9. MD Simulation

   5.0 out of 5 stars 

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

   Code to perform Molecular Dynamics (MD) Simulations

10. BioMOCA Suite

    4.0 out of 5 stars 

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

    Simulates ion flow through a channel.

11. Nano Heatflow

    0.0 out of 5 stars 

    Tools | 25 Sep 2007 | 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.

12. REBO

    4.0 out of 5 stars 

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

    Reactive Empirical Bond-Order (REBO) potential is a many-body expression optimized for modeling covalently bonded materials, such as carbon and silicon, in large-scale atomistic simulations

13. Micelle

    0.0 out of 5 stars 

    Tools | 24 Jul 2006 | 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.

14. nano-Materials Simulation Toolkit

    5.0 out of 5 stars 

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

    Molecular Dynamics simulations of nano-materials