Forcefields for Atomistic-Scale Simulations: Materials and Applications

1. Introduction to Forcefields.- 2. Forcefields for characterization of metals/metal alloys.- 3. Forcefields for characterization of nuclear materials.- 4. Forcefields and Atomistic insights to study high entropy alloys.- 5. Coarse-grained forcefields for anisotropically interacting particles.- 6. Forcefields for 2D nanomaterials (Graphene and h-BN) and the universal solvent "water".- 7. Reactive forcefield (ReaxFF) for the combustion application.- 8. Reactive forcefield (ReaxFF) for the 2D nanomaterials synthesis.- 9. Forcefields and Modelling of Polymer Coatings and nanocomposites.- 10. Accelerated reactive forcefields for studying nanomaterials and polymers.

Dr. Akarsh Verma is working as an Assistant Professor at the University of Petroleum and Energy Studies, Dehradun, India. He obtained Ph.D. in Mechanical Engineering from the Indian Institute of Technology Roorkee, India, and did his postdoctoral research work at Osaka University, Japan, and Brigham Young University, USA. He serves the research community by acting as a reviewer for more than 50 international journals (for Nature, Elsevier, Springer, Sage, Taylor & Francis, Wiley, IOP, etc.). In addition, he has published more than 50 research articles in high-quality international peer-reviewed journals, 20 book chapters, one book, and also presented many research papers at various international/national conferences. His area of interest is computational mechanics, computational chemistry, quantum mechanics, molecular dynamics, nanocomposites, etc. He has various international fellowships/awards (Japan Society for the Promotion of Science (JSPS) Postdoctoral Fellowship, Japan; J. William Fulbright Doctoral Research Fellowship, USA; Early Career Training Grant award for Early Career Researchers from the Communications Materials (Nature Journal); Researcher Development Grant from the Royal Society of Chemistry (RSC), UK; Excellence in Doctoral Research Award for the Best Ph.D. thesis research work at Indian Institute of Technology (IIT) Roorkee, India; Doctoral Research Scholarship by the Department of Science and Technology (DST), Government of India and Ministry of Human Resource Development (MHRD), Government of India; PG Scholarship by the All India Council for Technical Education (AICTE), India) to his credit. He has also been recognized by Stanford University's list of the world's Top 2% of the Most-Cited Scientists in Single Year Citation Impact 2020.

Dr. Sanjay Mavinkere Rangappa, is currently working as a Senior Research Scientist and also 'Advisor within the office of the President for University Promotion and Development towards International