Tags: Polymer Modeler

Description

The Polymer Modeler tool provides a chain builder, with options to specify monomers, monomer arrangements (tacticity), torsion angles between monomers, system parameters such as density and temperature, as well as some prebuilt epoxy structures from current research interests. The resulting structure (constructed or prebuilt) can be used as input to LAMMPS to run molecular dynamics (MD) simulations. Many MD options are available. Structures packed with this tool may be used as inputs to the nuSIMM tool.

Polymer Modeler Tool

Resources (1-2 of 2)

  1. Exploring the Nano World: Building Nanoscale Structures with Polymer Modeler

    Online Presentations | 14 Jul 2023 | Contributor(s):: Tongtong Shen

    In this talk, I will showcase how atomic-level simulations can lead to a more fundamental understanding of PAN crystal structures and guide you through an interactive Polymer Modeler powered by nanoHUB.

  2. Polymer Modeler

    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