Integrated Simulation System for Soft Materials

J-OCTA is an integrated simulation system for materials research and development

J-OCTA is the software that supports understanding of mechanisms and estimation of material properties from the atomic scale to the micrometer scale in the development of a wide variety of materials, such as rubbers, plastics, thin films, coatings, and electrolytes.
It can be used as a knowledge discovery tool to understand complicated properties and phenomena that could not be fully grasped through experimental results alone.

This product uses OCTA , which was developed through industry-university cooperative project.

Structure of J-OCTA

  • J-OCTA platform
  • Molecular orbital method interface
  • Analysis example database
  • COGNAC modeler (Coarse-grained molecular dynamics modeler)Including DPD (Dissipative Particle Dynamics) modeler
  • PASTA modeler (Rheology modeler)
  • NAPLES modeler (Rheology modeler)
  • SUSHI modeler (Dynamical mean-field modeler)
  • MUFFIN modeler (Multi-phase material modeler)
  • VSOP (Fast molecular dynamics engine)
  • QSPR (Quantitative Structure-Property Relationships)
  • Reverse mapping function
  • Solubility coefficient estimation function
  • Function for estimating χ parameters from phase diagrams
  • KRI-NIWA(High accurate group contribution method)

Molecular dynamics simulation (COGNAC, VSOP)

Interface, phase separation simulation (SUSHI, DPD )

Rheology simulation (PASTA, NAPLES)

Multi-phase material simulation (MUFFIN)

Quantitative Structure-Property

Zooming function, reverse mapping

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J-OCTA is an integrated simulation system for materials research
& development

J-OCTA is the software that supports understanding of mechanisms and estimation of material properties from the atomic scale to the micrometer scale in the development of a wide variety of materials, such as rubbers, plastics, thin films, coatings, and electrolytes.
It can be used as a knowledge discovery tool to understand complicated properties and phenomena that could not be fully grasped through experimental results alone.