All Categories (1-13 of 13)

  1. Michael Worku


  2. What are the Dreiding paramters for graphene ?

    Closed | Responses: 1


    I am using lammps to simulate PMMA-graphene composite system. I used polymer modeller to create the PMMA chains. I want to add the graphene sheet but I am not sure what...


  3. when I runn with my own exe.lammps 3 minimize has done but at fix 1 all nvt temp 300.0 300.0 100.0 this error apear: ERROR: All pair coeffs are not set (../pair.cpp:175) I will be very thankfull.

    Closed | Responses: 1


  4. nuSIMM: nanoHUB user Simulation Interface for Molecular Modeling

    18 Jun 2015 | Tools | Contributor(s): Michael Fortunato, Lauren Abbott, Kyle E Hart, coray colina

    Simulated polymerization, equilibration, and characterization of molecular models


  5. Error message: Can’t find file log.lammps

    Closed | Responses: 1

    I am trying to run a simple test example that I have run before, but all I get is an error message: "Can't find file log.lammps" ... Can't understand the equivalent command...



    26 Feb 2015 | Tools | Contributor(s): Benjamin P Haley

    Run LAMMPS by uploading a data file and command script.


  7. Resources for Materials Science and Engineering

    Ab initio electronic structure simulation tools ABINIT :ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made...


  8. Polymatic: A Simulated Polymerization Algorithm

    26 Mar 2013 | Downloads | Contributor(s): Lauren Abbott, Coray Colina

    Polymatic is a set of codes for structure generation of amorphous polymers by a simulated polymerization algorithm. The main task of Polymatic is to perform polymerization steps within a system...


  9. Can I request for multiple nodes when running LAMMPS on Nanohub?

    Closed | Responses: 0

    The LAMMPS tool on Nanohub has two features – atomic slip stick simulator and polymer modeler. Is there a way to perform simulations on LAMMPS other than the above on NANOHUB....


  10. LAMMPS (Large-Scale Atomic/Molecular Massively Parallel Simulator)

    This page provides links to various nanoHUB resources related to LAMMPS (Large-Scale Atomic/Molecular Massively Parallel Simulator). The Polymer Modeler tool, powered by LAAMPS, builds...


  11. Dan Karls


  12. Polymer Modeler

    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


  13. Atomic Stick-Slip

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

    Molecular dynamics simulation of atomic stick-slip friction