A comparison of molecular dynamics chemical reaction heuristics applied to crosslink formation

This publication has 53 references indexed in Scilit:

• AutoMapper: A python tool for accelerating the polymer bonding workflow in LAMMPS
  Computational Materials Science, 2022
• LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
  Computer Physics Communications, 2022
• Molecular origins of Epoxy-Amine/Iron oxide interphase formation
  Journal of Colloid and Interface Science, 2022
• Molecular dynamics simulation of cross-linking processes and material properties for epoxy resins using first-principle calculation combined with global reaction route mapping algorithms
  Chemical Physics Letters, 2021
• Modeling thermoset polymers using an improved molecular dynamics crosslinking methodology
  Computational Materials Science, 2020
• Molecular dynamics simulation of crosslinked epoxy resins: Curing and mechanical properties
  European Polymer Journal, 2016
• Comparison of Crosslinking Algorithms in Molecular Dynamics Simulation of Thermosetting Polymers
  Macromolecular Theory and Simulations, 2015
• Polymatic: a generalized simulated polymerization algorithm for amorphous polymers
  Theoretical Chemistry Accounts, 2013
• Journal of Polymer Science Part A: Polymer Chemistry
  2011
• The effects of steric hindrance on sub-glass transitions in epoxy polymers
  Polymer, 1992