This book, which is the first book about the OCTA system in English, provides a comprehensive explanation of the theoretical background and the techniques used in OCTA. It also includes various case examples covering a wide range of polymer materials, e.g., plastics, composites, polymer blends, rubbers, films, polymer solutions and micelles. The sample data of those case examples are available online for download.

We highly recommend this book for beginners of computational simulations in these fields. This text helps readers to learn many simulation techniques through a variety of useful applications. For more information about this book, visit here : http://www.springer.com/us/book/9789811008146

Lennard-Jones parameter adjustment tool has been added in J-OCTA v2.1. Typically, the organic-inorganic interface is considered to be a key factor in controlling the properties of composite materials. Nonbonding interaction parameters such as the Lennard-Jones type potential parameters are required for molecular dynamics simulation of interfacial systems. This adjustment tool provides parameters so that the potential energy curves resulting from quantum mechanical (QM) and force field (FF) calculations will be consistent with each other, to validate parameters. This is an essential tool for researchers in the composite materials field.