Computational approaches offer researchers unique insights into the structure, characteristics and properties of macromolecules. However, with applications across a broad range of areas, many different methods have been developed for exploring macromolecules in silico and it can be difficult for researchers to select the most appropriate for their specific needs. Covering both biopolymers and synthetic polymers. In Silico Approaches to Macromolecular Design familiarizes readers with the theoretical tools and software appropriate for such studies. In addition to providing essential background knowledge on both computational tools and macromolecules, it presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches. Written by specialists in their respective fields, In Silico Approaches to Macromolecular Design helps students, researches and industry professionals gain a clear overview of the field, and furnishes them with the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies.