J-OCTA integrates several engines on a single platform to bridge different length and time scales:

  • Quantum Mechanics (DFT): Interfacing with engines such as SIESTA for electronic state calculations.
  • Full-Atomistic Molecular Dynamics (MD): For detailed chemical structures and interfaces.
  • Coarse-Grained Molecular Dynamics: Utilizing engines like COGNAC for larger-scale polymeric structures.
  • Rheology and Mean-Field Theory: Engines like PASTA, NAPLES, and SUSHI for studying polymer dynamics and phase separation.
  • Continuum Mechanics: Using the MUFFIN engine for multi-phase materials