Sergei Manzhos holds a master’s degree in radio physics and electronics from Kharkiv National University, Ukraine (1999) and a Ph.D. in chemistry from Queen’s University, Canada (2005). He was NSERC Postdoctoral Fellow at the University of Montreal, Canada, in 2005-2008. In 2008-2012 he was Project Assistant Professor at the University of Tokyo, and in 2012-2019 Assistant Professor and group leader at the Department of Mechanical Engineering, National University of Singapore. He was Associate Professor at the Centre Énergie Matériaux Télécommunications, Institut National de la Recherche Scientifique (INRS) in Quebec, Canada, before joining Tokyo Institute of Technology in 2021. His research interests include modeling of materials and interfaces for renewable energy technologies, computational spectroscopy, large-scale electron density-based methods and machine learning. Giacomo Giorgi is an Associate Professor at the Department of Civil & Environmental Engineering (DICA), University of Perugia, Italy. He completed his Ph.D. at Perugia University (Dept. of Chemistry) where he also receivedhis MSc. He started as apostdoctoral student, then Senior Researcher at the Department of Chemical Engineering (under the supervision of Prof. Koichi Yamashita) at the University of Tokyo, and finally Project Assistant Professor at the Research Center for Advanced Science and Technology (RCAST, Prof. Hiroshi Segawa) still at the University of Tokyo. His present research interests are in Density Functional Theory (DFT) and Many-Body Perturbation Theory (MBPT) for the study of optical and electronic properties of materials. His present research focuses mainly (but not only) on the study of 3D, 2D, and mixed 2D/3D hybrid organic–inorganic and full inorganic halide perovskites, on the properties of semiconductor nanostructured materials (nanosheets, nanorods, quantum dots) for solar-to-energy conversion, and on hydrogen storing & molecular filtering properties of carbonaceous layers (graphene, graph-N-ynes). He is author of >100 publications, including articles in international peer-reviewed journals, several book chapters, and review articles. In 2021 he edited as Guest Editor for AIP the volume titled “Halide Perovskites for Photonics, and in 2017 for CRC the volume titled "Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications". Mariachiara Pastore is CNRS Research Director at the Laboratoire de Phisique et Chimie Théoriques, Univeristé de Lorraine, France. She obtained her PhD in theoretical chemistry (2006-2008) under the supervision of Prof. Cimiraglia at the University of Ferrara (Italy), working on the development and application of highly accurate multireference perturbation theory methods. In 2009, she joined the group of Prof. De Angelis (CNR-ISTM) in Perugia, where she began working in the field of Dye-Sensitized Solar Cells. In 2015, she was recruited as a CNRS researcher at the Laboratoire de Physique et Chimie Théoriques (LPCT) in Nancy (France), where she was promoted to Research Director in 2024. Her research interests span from the development and application of highly correlated ab initio methods and hybrid density functional theory/wavefunction-based methods to the simulation of materials and processes in molecule-functionalized semiconductor interfaces. Il Jeon is a Principal Investigator and Professor of Nanoengineering with the Sungkyunkwan University (SKKU) Advanced Institute of Nano Technology (SAINT), Suwon, South Korea. He has conducted research in the fields of optoelectronics, materials science, and chemistry. Prior to his appointment, he was an Associate Professor at Pusan National University, Busan, South Korea, and an Assistant Professor at the University of Tokyo, Japan. Il Jeon received the B.A. and M.Chem. degrees in chemistry from Oxford University and the Ph.D. degree (Hons.) in chemistry from the University of Tokyo, Tokyo, Japan. He is Editor-in-Chief of the International Journal of Chemical Kinetics and an Associate Editor of Battery Energy.