Elsevier In-Silico Approaches to Macromolecular Chemistry: A Guide to Computational Studies of Macromolecular Systems

In Silico Approaches to Macromolecular Chemistry helps students, researchers and industry professionals gain a clear overview of the field, giving users the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies. With applications across a broad range of areas, many different methods have been developed for exploring macromolecules in silico, making it difficult for researchers to select the most appropriate for their specific needs. Covering both biopolymers and synthetic polymers, this book 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, the book presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches. Review A guide to computational studies of macromolecular systems From the Back Cover 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. About the Author Minu Elizabeth Thomas is a researcher with the division of physical chemistry at Mahatma Gandhi University. She has particular expertise in the field of computational chemistry, using quantum chemistry methods to model and analyze the characteristics and properties of molecular structures. She has authored 3 publications. Jince Thomas is a Senior Research Fellow at the International and Inter University Centre for Nanoscience and Nanotechnology, Mahatma Gandhi University, Kerala, India. He has an MTech in Polymer Science and Technology and an MSc in Chemistry. Prior to taking up his current position, he also worked at the University of Tennessee Knoxville, USA. Jince’s research focuses on polymer blends, polymer nanocomposites, conductive and insulating polymer composites and biomaterials. He has authored multiple papers, three book chapters, and co-edited 2 books. Prof. Sabu Thomas is currently serving as Vice-Chancellor of Mahatma Gandhi University, Kerala, India. He is also a full professor of Polymer Science and Engineering at the School of Chemical Sciences, since 1998. He was previously Pro-Vice Chancellor of Mahatma Gandhi University 2017-2018, Director of School of Chemical Science during 2010-2013, and Hon. Director of International & Inter-University Centre for Nanoscience and Nanotechnology 2009-2015 and 2016-17. In 2015, Prof. Thomas received his first Doctorate Honoris Causa from University of Southern Brittany in Lorient, France. In 2016, he received his second Doctorate Honoris Causa from University of Lorraine, France. He was awarded the Fellow of the Royal Society of Chemistry, London, FRSC in 2012. He received the Bronze Medal of the Chemical Research Society of India