Tags: LAMMPS

Resources (1-9 of 9)

  1. Electrochemical Simulation

    13 Oct 2017 | Tools | Contributor(s): Joseph Anderson

    Simulate molecular dynamics using LAMMPS as well as an addition electrochemical force field (EChemDID)

    http://nanohub.org/resources/echem

  2. Structure-Force Field Generator for Molecular Dynamics Simulations

    07 Aug 2017 | Online Presentations | Contributor(s): Carlos Miguel Patiño, Lorena Alzate-Vargas, Alejandro Strachan

    Atomistic and molecular simulations have become an important research field due to the progress made in computer performance and the necessity of new and improved materials. Despite this, first...

    http://nanohub.org/resources/26959

  3. Glass transition temperature notebook

    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

    http://nanohub.org/resources/tgnb

  4. LAMMPS structure generator

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

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

    http://nanohub.org/resources/struct2lammps

  5. 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

    http://nanohub.org/resources/nusimm

  6. LAMMPS

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

    Run LAMMPS by uploading a data file and command script.

    http://nanohub.org/resources/lammpstool

  7. 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...

    http://nanohub.org/resources/17278

  8. 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

    http://nanohub.org/resources/polymod

  9. Atomic Stick-Slip

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

    Molecular dynamics simulation of atomic stick-slip friction

    http://nanohub.org/resources/stickslip