Forcefields for Atomistic-Scale Simulations: Materials and Applications (eBook)

Prof. (Dr.) Akarsh Verma is currently an Assistant Professor at the UPES (University of Petroleum and Energy Studies), India. He obtained a Ph.D. in Mechanical Engineering from the Indian Institute of Technology (IIT) Roorkee, India; and did his postdoctoral research work at Brigham Young University (USA) and was a Japan Society for the Promotion of Science (JSPS) International Research Fellow at Osaka University (Japan). He serves the research community by acting as a reviewer for various International journals (Nature, Elsevier, Springer, Sage, Taylor & Francis, Wiley, IOP, etc.) and has reviewed several research articles. In addition, he has published various research articles in high-quality international peer-reviewed journals, many books and book chapters, and has also presented many research papers at various international/national conferences. His areas of interest are computational mechanics, computational chemistry, quantum mechanics, molecular dynamics, nanocomposites, etc. Hariome Sharan Gupta is currently working in the Department of Polymer and Process Engineering, Indian Institute of Technology (IIT) Roorkee Saharanpur Campus, Paper Mill Road Saharanpur, India. He holds M. Tech (IIT BHU, Varanasi) in Material Science Department and B. Tech (CIPET, Lucknow) in Plastics Engineering Department. His research interests include packaging of polymeric materials, design of polymeric materials, environmental issues and solution by polymeric materials, hybrid polymer composites and polymer composites and polymer nanocomposites, adhesives and coatings, applications of additives and fillers, polymer and composites processing/compounding, predictions of polymer composites by models and equations. He has several published and communicated research publications in international peer reviewed SCI journals. Prof. (Dr.) Sushanta Kumar Sethi is currently working as an Assistant Professor in the Department of Mechanical, Materials & Aerospace Engineering at IIT Dharwad, India. Prior to this, Dr. Sethi worked as a Post-Doctoral Fellow in the Department of Metallurgical Engineering & Materials Science (MEMS) at IIT Bombay, India. He successfully completed his Ph.D. in the Department of Polymer & Process Engineering at IIT Roorkee. Dr. Sethi holds an M. Tech from IIT Kharagpur and a B. Tech in Mechanical Engineering from BPUT, India. His research interests encompass various areas such as computational materials science, self-clean coatings, functional nanomaterials/quantum dots and their applications, multi-scale molecular modeling and simulations of polymer materials, development of novel and environmentally sustainable polymer composites and nanocomposites, as well as coatings and adhesives. Dr. Sethi has an impressive publication record with various research publications in internationally recognized SCI journals, international conferences, and book chapters. He has made significant contributions to esteemed peer-reviewed journals in the field of Polymer engineering and science, ACS sensors, and Polymers, among others. His remarkable achievements include receiving the Best Doctoral Thesis Award for Polymer & Process Engineering from IIT Roorkee and recognition from the Science Technology Engineering and Management society.