About J-OCTA

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 simulation

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 Structure of J-OCTA

J-OCTA Student Edition

The J-OCTA Student Edition is a free software that consists of the basic functions from the J-OCTA advanced simulation system, and it is useful for small calculation and/or validation. Anyone can use the student edition for free and without any license application and/or registration. The J-OCTA Student Edition is useful as both the atomistic molecular modeling tool for J-OCTA simulations and as a support tool for your analyses. You also can try to evaluate the capability of J-OCTA as a provisional test prior to the formal introduction.

See more details for the J-OCTA Student Edition >>

Developers of free software


J-OCTA is the commercial version of the integrated simulator for soft materials, called "OCTA," that was developed through an industry-university cooperative project. OCTA is open-source software.
See more details for OCTA >>


SIESTA is open source Density Functional Theory (DFT) software developed by a group including Universities mainly in Spain. SIESTA is a registered trade-mark of SIMUNE.
SIMUNE Website >>
SIESTA Open Source Software Website >>


GENESIS is molecular dynamics software developed mainly by RIKEN and distributed as free software (LGPLv3).
GENESIS Website >>

[1] C. Kobayashi, J. Jung, Y. Matsunaga, T. Mori, T. Ando, K. Tamura, M. Kamiya, and Y. Sugita, J. Compute. Chem. 38, 2193-2206 (2017).
[2] J. Jung, T. Mori, C. Kobayashi, Y. Matsunaga, T. Yoda, M. Feig, and Y. Sugita, WIREs Comput. Mol. Sci., 5, 310-323 (2015).


Assistance in initially launching J-OCTA analyses Assistance in initially launching J-OCTA analyses

Customers with a support contract will be provided with support services from specialist staff via email. Assistance in initially launching J-OCTA analyses will be provided. JSOL provides seminars and training workshops that cover topics ranging from the basic theory to actual operations.

See more User Support >>

Commissioned and consulting business

JSOL provides a simulation commission service to support OCTA/J-OCTA usage that includes estimating the physical properties of soft materials, primarily resin or rubber polymer materials, and understanding the material mechanisms.

The commission service is a comprehensive service that includes a preliminary survey, modeling, input data generation, simulation, and analysis of the simulation result. JSOL provides the input data used for the simulation along with the final report.

Customized service for OCTA/J-OCTA can also be provided.

Please contact us for details.

Contact >>

Product Catalog

Catalog of Integrated System J-OCTA for Multiscale Modeling and Simulation(PDF : 2.56MB)

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