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From cutting-edge quantum dots poised to revolutionize energy, health, and environmental sectors to the intricate design and characterization of perovskite-based solar cells, this comprehensive volume delves into the forefront of materials science and technology. Offering both theoretical depth and practical insights, it explores the latest advancements in fuel cells, spintronics, and quantum computing materials. Furthermore, it scrutinizes the mesmerizing realm of magnetism, phonon dynamics, and thermophysical properties through a detailed examination of gamma-Fe4N. Seamlessly integrating theory with experimentation, this book serves as an indispensable resource for researchers, engineers, and enthusiasts navigating the dynamic landscape of modern materials innovation.

This book offers a roadmap to the future, addressing pressing challenges such as energy sustainability, environmental preservation, and advancements in biotechnology and pharmaceuticals. From the exploration of novel perovskite materials for environmental NO reduction to the development of game-changing biotechnological strategies for simultaneous CO2 capture and H2S conversion, this book spans a diverse range of topics. The content dives into the realms of artificial intelligence, nanotechnology, and state-of-the-art photovoltaic solar cells. The chapters explore the potential of psychedelic substances for treating mental disorders and the use of computational tools in pesticide development. Moreover, the reader can uncover the secrets of copaiba tree oil-resin active ingredients with multifaceted medicinal properties and the application of electrical current in alcoholic fermentation. With contributions from esteemed researchers, this book offers insights into the forefront of scientific progress.

This book covers edge-point applications in science and engineering. The chapters discuss the functional properties of advanced engineering materials and biomolecules, improving the comprehension of their chemical physical properties and potential for new technological and medicinal applications. The book presents a small number of experimental techniques and computational simulation models from basic concepts of classical/quantum mechanics, physics, chemistry, biology, statistical methods that can predict important applications and properties of these materials/biomolecules. The content shows how improving design of new systems helps in addressing future world problems (health, energy, food, environment, transportation, housing, clothing, etc.), i.e., almost every aspects of our daily lives.

This book shows how a small toolbox of experimental techniques, physical chemistry concepts as well as quantum/classical mechanics and statistical methods can be used to understand, explain and even predict extraordinary applications of these advanced engineering materials and biomolecules. It highlights how improving the material foresight by design, including the fundamental understanding of their physical and chemical properties, can provide new technological levels in the future.

In this book, the authors discuss some of the main challenges and new opportunities in science and engineering research, which involve combining computational and experimental approaches as a promising strategy for arriving at new insights into composition–structure–property relations, even at the nanoscale. From a practical standpoint, the authors show that significant improvements in the material/biomolecular foresight by design, including a fundamental understanding of their physical and chemical properties, are vital and will undoubtedly help us to reach a new technological level in the future.