Kosuke Ohata
JSOL Corporation

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

J-OCTA is the integrated simulation system for soft materials, which includes various kinds of modeling tools, post-processing tools and simulation engines to perform multiscale simulation. We implement new functions which are, for example, the interfacial energy tool with DFT solver SIESTA, Quantitative Structure-Properties Relationship (QSPR) with machine learning and the Representative Volume Element (RVE) create function. This software also has the interface to LAMMPS. The molecular or crystal models can be executed with LAMMPS through the interface and checked the results. In addition, the free version which named "J-OCTA Student edition" is available in (http://octa.jp/). It has many functions and can be used as pre/post software of LAMMPS, especially, a visualization function for large systems is quite useful.