This book provides the detail analysis of various computations techniques such as Density Functional Theory (DFT), Solar Cell Capacitance Simulator (SCAPS), and COMSOL Multiphysics; to investigate the various properties and physical parameters of perovskite solar cells such as electrical and optoelectronic properties, band gap matching strategy, doping concentrations, defects density, grading effect, multivalent defects, scripting, multi-terminal/multi-junction tandem connection. The computational analysis technique is a low cost method to investigate doping concentration, device structure, operating conditions and material compositions of perovskite solar cells (PSCs). One of the prime areas of focus in this book is the computational study of the electronic structure and optoelectronic properties of perovskite materials. This scope of this book attracts researchers, scientists and industry practitioners who are interested in new materials and computational methods to increase the efficiency of photovoltaics and solar cell devices.

Manish Kumar obtained his M.Tech. degree in Ceramic Engineering from IIT(BHU), Varanasi and Ph.D. degree in Physics from Institute of Science, Department of Physics, Banaras Hindu University, Varanasi, India. At present, he is serving as Associate Professor at Department of Physics, ARSD College, University of Delhi, New Delhi, India since last more than 13 years. His research area focuses on environmental friendly multifunctional materials for energy and memory devices, materials for green energy solutions, multiferroics, magnetoelectrics, composites, perovskite materials for photovoltaic applications, supercapacitors, white light emitting mate-rials, solar simulation via different software and DFT calculation. Recently, he was listed among top 2% scientists worldwide by Stanford University, USA, Ranking-2021 & 2025 and published more than 155 research publications in international journals of high repute, two authored books, six edited books (published/in press) in Springer Nature, 38 international book chapters and one Indian Patent with h-index of 34, i10-index of 94 including more than 3600 citations as per Google-Scholar. He has delivered the talks in a number of national and international conferences. He is also a member of various research committees of different universities. In addition, he has completed two national research projects and received the best research award from his institute. He is guiding/ guided number of Ph.D., M.Tech./M.Sc. and B.Sc./B.Tech. students as supervisor and/ cosupervisor. Dr. Kumar is serving and/ served as an Editor in number of highly reputed journals such as, Scientific Reports (Nature), Materials Today Communications (Elsevier), ECS Sensors Plus (IOP, ECS), High Performance Polymers (SAGE), Materials Today: Proceedings (Elsevier) and Springer Nature Books. He has organized one national conference (RAFM-2020) as co-convener and three international conferences (RAFM-2022, RAFM-2024 and APGC-2025) as convener.