Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimentation: Fundamentals, Methods, Applications and Synergy with Experimental Approaches - Softcover

Über die Autorinnen und Autoren

Dr. Cristina García Iriepa received her BSc in chemistry (Bachelor excellence award) in 2011 and her MSc in Fine Chemistry in 2012 from the University of Alcalá (Spain). She obtained her PhD in chemistry in 2016 studying photoactive devices both, from a computational (at the University of Alcalá) and experimental (at the University of La Rioja, Spain) point of view. After, she performed postdoctoral stages at the Université Marne-la-Vallée (France) studying bioluminescent processes, at the University of La Rioja strengthening her background in molecular photoswitches and at the University of Alcalá. Finally, in 2019, she was appointed Assistant Professor at the University of Alcalá. Currently, she is interested on photochemical processes, particularly focused on the application of molecular devices and photoactive proteins.

Marco Marazzi is an Associate Professor at the Physical Chemistry Unit of the University of Alcalá, Spain. He obtained his bachelor’s degree in chemistry with a major in Materials Chemistry at the Sapienza University in Rome, Italy, his Masters in Polymer Science in Berlin, Germany and his PhD in Chemistry at the University of Alcalá, Spain in 2013, working on the theoretical development and computational application of photochemical and photophysical tools. After postdoctoral stages at the Karlsruhe Institute of Technology (KIT), Germany, as a Humboldt fellow, the French national research council (CNRS), and the University of La Rioja, Spain, strengthening his skills in excited state molecular dynamics and in different photoinduced processes, he was appointed Assistant Professor at the University of Alcalá in 2019. Since then, his interests have included the design of solar energy storage systems, as well as hydrogen release and photoinduced hydrogen production. He was visiting researcher at the University of Uppsala, Sweden, Bowling Green State University, Ohio, USA, Northwestern University, Illinois, USA, and Université Gustave Eiffel, France. He is the author of more than seventy journal publications, four book chapters, and was co-Editor of Theoretical and Computational Photochemistry (Elsevier, 2023) with Cristina García Iriepa

Von der hinteren Coverseite

Light-induced processes continue to be the subject of intensive study, thanks to their diverse properties and applicability to areas ranging from clean energy to environmental remediation. Whilst experimentation provides important information on such photochemical processes, computational and theoretical methods are proving to be increasingly important tools. Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches provides a comprehensive overview of such methods, showing the wide range of photoactive systems and photochemical processes they can be used to explore.After an introduction to photochemistry, the book goes on to discuss the key computational chemistry methods applied to the study of light-induced processes over the past decade, and further outlines recent research topics these methods have been applied to. By discussing the synergy between experimental and computational data, it highlights how theoretical studies could aid understanding and rationalizing of experimental findings, both now and in the future. Drawing on the experience of its expert editors and contributors, Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches is a helpful guide for both theoretical chemists and experimental researches in photochemistry who are interested in better utilizing computational photochemistry methods for their own work.