In-Silico Approaches to Macromolecular Chemistry

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 currently a Postdoctoral Fellow in the Department of Mechanical and Industrial Engineering at the University of Toronto, Canada. He previously served as an Assistant Professor (on contract) at the International and Inter- University Centre for Nanoscience and Nanotechnology, Mahatma Gandhi University, Kerala, India, where he was later awarded the Chief Minister’s Nava Kerala Postdoctoral Fellowship. He earned his Ph.D. in Chemistry from Mahatma Gandhi University. Dr. Thomas has contributed to a collaborative Indo- Malaysian research program with Universiti Teknologi MARA, Malaysia, and has held visiting research positions at Ariel University in Israel and the University of Tennessee, Knoxville, USA. He is the author and co- author of numerous peer- reviewed journal articles, book chapters, and edited volumes. His research focuses on polymeric membranes,electrolytes, polymer nanocomposites, and electrochemical energy systems, with a strong focus on computational simulations to support materials design and performance evaluation Professor Sabu Thomas is currently an Emeritus Professor of Mahatma Gandhi University, Kottayam, Kerala, India. He was the former Vice Chancellor of Mahatma Gandhi University. He is a Senior Professor of Christ University, Bangalore, India. He is also a visiting Professor at the Department of Chemical Sciences, University of Johannesburg, Johannesburg, South Africa, Department of Chemical Engineering, Faculty of Engineering, Chulalongkorn University, Bangkok, Thailand, and an Adjunct Faculty in the Department of Polymer and Process Engineering, IIT Roorkee, India. He is the Chairman of the TrEST Research Park, Trivandrum, Kerala, India. The H index of Professor Thomas is 163 and he has more than 133,000 citationsProf. 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).

• 1. Why Are In-silico Approaches Necessary for Macromolecular Chemistry?2. Theoretical tools for In-silico Macromolecular Chemistry3. Macromolecular Chemistry: An Introduction4. In-silico Approaches for Carbohydrates5. In-silico Approaches for Lipids6. In-silico Approaches for Proteins7. In-silico Approaches for Nucleic acids8. Contribution of Computational Genomics Research to the Real World9. In-silico Approaches for Olefinic polymers10. In-silico Approaches for Halopolymers11. In-silico Approaches for Elastomers12. In-silico Approaches for Aerogel13. In-silico Approaches for Xenobiotic Polymers and their Degradation Mechanism14. In-silico Approaches for Polymeric Composites15. In-silico studies of Macromolecules as Sensors16. Are Computational Approaches Critically Important for Solving Real-World Problems?