About J-OCTA
J-OCTA can be used at the forefront of materials and life science R&D
J-OCTA is a multi-scale simulation software that predicts properties from the atomistic to the micrometer scale on a computer for research and development of a wide range of high-performance materials such as resins, rubbers, nanocomposites, thin films, inks, and batteries, and in the life science field such as drug discovery and pharmaceutical formulation.
It can be used as a knowledge discovery tool to understand the mechanisms of complex phenomena that could not be understood by experiments alone, and as a data generation tool for informatics.
It is also possible to link simulators of different scales on a common platform and combine data science functions to support cutting-edge research and development.
Review article : Simulation of Polymeric Materials : Overview and Examples Review article : Simulation of lithium-ion batteries Review article : Overview of First-Principles calculation Review article : Drug discovery and formulation Review article : Materials & Process Informatics Review article : Development of force fields used in molecular dynamics calculation Review article : What you need to know when using molecular modeling and simulation for materials design Review article : Electrical conduction as a multiscale simulationMain Functions
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Crystal Structure and Molecular Modeling -
First-Principles Calculation (SIESTA) -
Molecular dynamics simulation (COGNAC, VSOP, GENESIS) -
Interface, phase separation simulation (SUSHI, COGNAC-DPD) -
Rheology simulation (PASTA, NAPLES) -
Multi-phase material, RVE, and Process simulation (MUFFIN, VSOP-PS) -
Multi-scale coupling function -
Data science function -
Platform Function
Structure of J-OCTA
To use J-OCTA’s functions, “J-OCTA platform” is necessary, except for the QSPR-only version.
Structure of J-OCTA
