Latest Functions of J-OCTA, Multiscale Simulation Software for Soft Materials

抄録

J-OCTA is the integrated simulation system for soft materials, which includes various kinds of modeling tools and simulation engines to perform multiscale simulation. Recently some new functions have been added to the system to treat wider scale phenomena, e. g. quantum mechanics and nonlinear structural analysis based on continuum mechanics. In addition, combination with the data science is becoming important by the evolution of machine learning and deep learning technologies. By using chemical structures and materials properties database with experimental and many numbers of computer simulation data, Quantitative Structure-Property Relationship (QSPR) can be applied to design new materials. Latest updates of the software and case studies are introduced.