This book highlights recent advances in the field of Materials and related computational techniques used to explore various type of materials. Since the field of materials is an interdisciplinary field where researchers from all domains of sciences such as Physical Sciences, Chemical Sciences, Biological Sciences, and Mathematical and Computer Sciences work toward the development of novel materials, the book provides a platform for comprehensive discussions and methods to explore materials development and the properties of novel and existing materials. This book also includes the research work in computational techniques developed by mathematical and machine learning models to understand and design various devices and their applications and properties as an integral part of materials science.

Autorentext

Dr. Lalita Ledwani, Professor of Chemistry and Dean at Manipal University Jaipur, is a distinguished academic leader with 23+ years of post-PhD experience. A founding faculty of Manipal University Jaipur and Pandit Deendayal Energy University, she has led 11+ major government-funded projects, including the DST PURSE 2022 grant. She has 85+ publications, 50+ invited talks, and 65+ conference presentations, and is a Chartered Chemist (CChem) and Fellow of the Royal and Indian Chemical Societies (FRSC, FICS).

Dr. Saurabh Srivastava is working as an assistant professor in the Department of Chemistry at Manipal University Jaipur (MUJ). He obtained his Ph.D. from Indian Institute of Technology Kanpur (IITK). After graduating from IITK he moved to the WPI-MANA center of National Institute for Materials Science (NIMS), Tsukuba, Japan, to work as a post-doctoral researcher till 2016 where he worked on the electron transport calculations for Molecular Electronics. He then moved to CEMES, CNRS lab at Toulouse France as a senior post-doctoral researcher where he worked till 2019 on the various nano materials to study the molecular gears. His current research is focused on the covalent organic frameworks to work as molecular gears and molecular electronics. His group at MUJ is also working to study the reaction mechanism in the drug-enzyme interactions and cancer proteins.