In-Silico Approaches to Macromolecular Chemistry

· · ·
· Elsevier
Ebook
624
Pages
Eligible
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About this ebook

Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of areas, various methods have been developed for exploring macromolecules in in silico; therefore, it can be difficult for researchers to select the most appropriate method for their specific needs. Covering both biopolymers and synthetic polymers, In-Silico Approaches to Macromolecular Chemistry 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. Written by specialists in their respective fields, this book helps students, researchers, 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. - Highlights in silico studies of both bio and synthetic macromolecules in one book - Supports both learners and experts though a combination of detailed guidance and perspectives on the future potential for in silico approaches to macromolecules - Familiarizes readers with theoretical tools and software helping them select the best approach for their specific needs

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.

Dr. Jince Thomas is the Chief Minister's Nava Kerala Post-Doctoral Fellow at the International and Inter University Centre for Nanoscience and Nanotechnology at Mahatma Gandhi University in Kerala, India. Previously, he worked as an Assistant Professor on contract at the same institution. He earned his Ph.D. in Chemistry from Mahatma Gandhi University in 2022 under the guidance of Prof. Sabu Thomas. During 2016-2017, he worked as a project assistant on an Indo-Malaysian project in collaboration with University Technology Mara, Malaysia. Additionally, he was a visiting student at Ariel University in Israel and the University of Tennessee Knoxville, USA. Dr. Jince has contributed to numerous publications, book chapters, and edited books, with his research interests focused on polymeric membranes, electrolytes, polymer nanocomposites, and electrochemistry.

Sabu Thomas is the chairman at the Trivandrum Engineering Science and Technology Research Park (TrEST Research Park) and the former vice chancellor at the Mahatma Gandhi University, Kottayam, Kerala, India. He is also the director at the School of Energy Materials, the School of Nanoscience and Nanotechnology, and the International and Inter University Centre for Nanoscience and Nanotechnology. Prof. Thomas is also the former director at the School of Chemical Sciences and the founder of the School of Polymer Science and Technology, Mahatma Gandhi University, Kottayam, Kerala, India. He received his Ph. D. in 1987 in Polymer Engineering from the Indian Institute of Technology (IIT), Kharagpur, India. He has been ranked no.1 in India about the number of publications (most productive scientists). Prof. Thomas’s research group specialized areas of polymers which includes Polymer blends, Fiber filled polymer composites, Particulate-filled polymer composites and their morphological characterization, Ageing and degradation, Pervaporation phenomena, sorption and diffusion, Interpenetrating polymer systems, Recyclability and reuse of waste plastics and rubbers, Elastomer cross-linking, Dual porous nanocomposite scaffolds for tissue engineering, etc. Prof. Thomas’s research group has extensive exchange programs with different industries, research, and academic institutions all over the world and is performing world-class collaborative research in various fields. Professors Centre is equipped with various sophisticated instruments and has established state-of-the-art experimental facilities which cater to the needs of researchers within the country and abroad. His H Index- 133, Google Citations- 86424, Number of Publications- 1300, and Books-160.

Prof. Haya Kornweitz is head of the Department of Chemical Science at Airel University, Israel. She has expertise in the fields of Computational Chemistry (molecular and solid state), Theoretical chemistry and Molecular dynamics, studying the geometry and thermodynamics of molecules and exploring the mechanisms of considered reactions. Prof Kornweitz has published 42 papers in the field and was an editor of two journal special issues (J. Coord. Chem. and in Israel Journal of Chemistry).

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