Polaritonic Chemistry

Polaritonic chemistry is an emergent interdisciplinary field in which the strong interaction of organic molecules with confined electromagnetic field modes is exploited in order to manipulate the chemical structure and reactions of the system. In the regime of strong light-matter coupling the interaction with the electromagnetic vacuum obliges us to redefine the concept of a molecule and consider the hybrid system as a whole. This thesis builds on the foundations of chemistry and quantum electrodynamics in order to provide a theoretical framework to describe these organic light-matter hybrids. By fully embracing the structural complexity of molecules, this theory allows us to employ long-established quantum chemistry methods to understand polaritonic chemistry. This leads to predictions of substantial structural changes in organic molecules and the possibility of significantly influencing chemical reactions both in the excited and ground states of the system.

Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches provides a comprehensive overview of photoactive systems and photochemical processes. After an introduction to photochemistry, the book discusses the key computational chemistry methods applied to the study of light-induced processes over the past decade, and further outlines recent research topics to which these methods have been applied. By discussing the synergy between experimental and computational data, the book highlights how theoretical studies could facilitate understanding experimental findings. This helpful guide is for both theoretical chemists and experimental photochemistry researchers interested in utilizing computational photochemistry methods for their own work. Reviews the fundamentals of photochemistry, helping those new to the field in understanding key concepts Provides detailed guidance and comparison of computational and theoretical methods, highlighting the suitability of each method for different case studies Outlines current applications to encourage discussion of the synergy between experimental and computational data, and inspiring further application of these methods to other photochemical processes

This book provides a pedagogical introduction to the emerging field of Polariton Chemistry, where optical cavities are utilized to control the physicochemical properties and dynamics of molecular systems. Given the early stages of this interdisciplinary research area, it is important to provide a common language and starting point for interested researchers across Chemistry, Physics, and Engineering This edited compendium fills a void given that there is currently no analogue in the current literature. Topics covered include Single-Molecule Strong Light-Matter Coupling; Collective Strong Light-Matter Coupling; and Ultrastrong Light-Matter Coupling

This book is a journey through the wonders of physics, the special thousandth volume of the renowned Lecture Notes in Physics book series. From quantum physics to solar physics, this volume showcases the beauty of physics in various fields. Written by series editors and colleagues, these essays are accessible to non-specialists and graduate-level students alike, making for an intriguing read for anyone interested in learning about physics beyond their own field of study. Explore the historical development of the series with two insightful forewords. List of essays: A New Era of Quantum Materials Mastery and Quantum Simulators In and Out of Equilibrium Evaluation and Utility of Wilsonian Naturalness The Geometric Phase: Consequences in Classical and Quantum Physics The Coming Decades of Quantum Simulation Insights into Complex Functions Exploring the Hottest Atmosphere with the Parker Solar Probe A Primer on the Riemann Hypothesis

This book provides a cutting-edge research overview on the latest developments in the field of Optics and Photonics. All chapters are authored by the pioneers in their field and will cover the developments in Quantum Photonics, Optical properties of 2D Materials, Optical Sensors, Organic Opto-electronics, Nanophotonics, Metamaterials, Plasmonics, Quantum Cascade lasers, LEDs, Biophotonics and biomedical photonics and spectroscopy.

This comprehensive volume presents invited reviews and short notes with exciting new results obtained in fabrication study and application of nanostructures, which promise a new generation of electronic and optoelectronic devices. The rapid progress in nanoelectronics and optoelectronics, molecular electronics and spintronics, nanotechnology and quantum processing of information are covered. Contents:Physics of NanostructuresSpintronicsChemistry of NanostructuresNanotechnologyNanostructure Based Devices Readership: Graduate students and researchers in nanoscience and nanotechnology. Keywords:Nanostructures;Nanotechnology;Quantum Computing;Bioinformatics;Nanoelectronics;Spintronics;NanophotonicsKey Features:Provides the most recent collection of results in the fieldCovers areas not presented in any other competing titleContributors are well-known specialists in the field

This volume presents the current status of software development in the field of computational and theoretical chemistry and gives an overview of the emerging trends. The challenges of maintaining the legacy codes and their adaptation to the rapidly growing hardware capabilities and the new programming environments are surveyed in a series of topical reviews written by the core developers and maintainers of the popular quantum chemistry and molecular dynamics programs. Special emphasis is given to new computational methodologies and practical aspects of their implementation and application in the computational chemistry codes. Modularity of the computational chemistry software is an emerging concept that enables to bypass the development and maintenance bottleneck of the legacy software and to customize the software using the best available computational procedures implemented in the form of self-contained modules. Perspectives on modular design of the computer programs for modeling molecular electronic structure, non-adiabatic dynamics, kinetics, as well as for data visualization are presented by the researchers actively working in the field of software development and application. This volume is of interest to quantum and computational chemists as well as experimental chemists actively using and developing computational software for their research. Chapters "MLatom 2: An Integrative Platform for Atomistic Machine Learning” and “Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol" are available open access under a CC BY 4.0 License via link.springer.com.