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Tools (1-20 of 26)

1. Glass transition temperature notebook

   0.0 out of 5 stars 

   23 May 2017 | Tools | Contributor(s): Benjamin P Haley, Lorena Alzate-Vargas

   Calculate the glass transition temperature of an atomistic, amorphous system by running MD simulations in a notebook

   https://nanohub.org/resources/tgnb

2. Vacancy Formation Energy with MD

   0.0 out of 5 stars 

   08 May 2017 | Tools | Contributor(s): Sam Reeve, Alejandro Strachan

   Calculate vacancy formation energy with molecular dynamics and various atomic interaction models

   https://nanohub.org/resources/mdvacancy

3. LAMMPS structure generator

   0.0 out of 5 stars 

   07 Nov 2016 | Tools | Contributor(s): Benjamin P Haley

   Convert a molecular structure file to a LAMMPS data file with force field parameters

   https://nanohub.org/resources/struct2lammps

4. OpenKIM Explorer

   0.0 out of 5 stars 

   28 Oct 2016 | Tools | Contributor(s): Benjamin P Haley, Dan Karls, Alejandro Strachan, Ryan S Elliott, Ellad B Tadmor

   Query the OpenKIM repository for names of interatomic Models for simulating selected materials

   https://nanohub.org/resources/kimexplorer

5. Coarse Graining of Crystalline Cellulose

   0.0 out of 5 stars 

   24 Oct 2016 | Tools | Contributor(s): Kuo Tian, Mehdi Shishehbor, Pablo Daniel Zavattieri

   Bio-inspired Crystalline Nano-Cellulose coarse graining toolkit

   https://nanohub.org/resources/cgmcc

6. MD simulations of shock loading

   0.0 out of 5 stars 

   29 Dec 2015 | Tools | Contributor(s): edwin alberto antillon, Mitchell Anthony Wood, Mathew Joseph Cherukara, Alejandro Strachan

   Use MD simulation to study shocks in various materials including metals and energetics

   https://nanohub.org/resources/mdshocks

7. Molecular Exploration Tool

   0.0 out of 5 stars 

   10 Dec 2015 | Tools | Contributor(s): Xueying Wang, nicolas onofrio, Alejandro Strachan, David M Guzman

   The tool can display the molecule structures and run Lammps simulations.

   https://nanohub.org/resources/molexpl

8. Molecular Dynamics Showcase Builder

   0.0 out of 5 stars 

   09 Nov 2015 | Tools | Contributor(s): Michael McLennan, Nicholas K Kisseberth, George A. Howlett, Jim Slopsema, Aleksei Aksimentiev, Chen-Yu Li

   Tool to create showcases for the Molecular Dynamics Showcase viewer.

   https://nanohub.org/resources/mdshowbuilder

9. Nanomaterial Mechanics Explorer

   5.0 out of 5 stars 

   19 Aug 2015 | Tools | Contributor(s): Christopher Chow, Michael N Sakano, shuhui tang, Alexis Belessiotis, Sam Reeve, Mitchell Anthony Wood, Kiettipong Banlusan, Alejandro Strachan

   Simulate dislocation dynamics, crack propagation, nanowire tensile tests, and phase transitions

   https://nanohub.org/resources/nanomatmech

10. Crack Propagation Simulation

    0.0 out of 5 stars 

    13 Mar 2015 | Tools | Contributor(s): hojin kim, Nilofer Rajpurkar, Benjamin P Haley, Alejandro Strachan

    Simulate crack propagations through materials under applied loads.

    https://nanohub.org/resources/crackpropsim

11. Molecular Dynamics Showcase

    0.0 out of 5 stars 

    14 Oct 2013 | Tools | Contributor(s): Michael McLennan, Chen-Yu Li, john stone, Aleksei Aksimentiev, George A. Howlett

    View interesting features of a molecular dynamics trajectory file

    https://nanohub.org/resources/mdshowcase

12. Crystalline Cellulose - Atomistic Toolkit

    0.0 out of 5 stars 

    05 Aug 2013 | Tools | Contributor(s): Mateo Gómez Zuluaga, Robert J. Moon, Fernando Luis Dri, Pablo Daniel Zavattieri

    Crystalline Cellulose - Atomistic Toolkit

    https://nanohub.org/resources/ccamt

13. 2d Ideal Gas Molecular Dynamics

    0.0 out of 5 stars 

    27 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

14. 1-D Chain Dispersions

    0.0 out of 5 stars 

    23 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

15. Temperature Accelerated Dynamics

    0.0 out of 5 stars 

    13 Sep 2011 | Tools | Contributor(s): Justin Riley, Markus J. Buehler

    Simulate temperature accelerated dynamics

    https://nanohub.org/resources/tad

16. nanoMATERIALS nanoscale heat transport

    0.0 out of 5 stars 

    31 Aug 2011 | Tools | 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

    https://nanohub.org/resources/nmstthermal

17. MiniMol: Minimal Molecular Simulation Tool

    0.0 out of 5 stars 

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

    Perform simple molecular dynamics and statics simulations.

    https://nanohub.org/resources/minimol

18. Polymer Modeler

    3.5 out of 5 stars 

    25 Aug 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

19. Atomic Stick-Slip

    0.0 out of 5 stars 

    31 Mar 2010 | Tools | Contributor(s): Ashlie Martini, Jianguo Wu

    Molecular dynamics simulation of atomic stick-slip friction

    https://nanohub.org/resources/stickslip

20. MIT Tools for Energy Conversion and Storage

    0.0 out of 5 stars 

    12 Oct 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