This book covers a wide range of subjects concerning advanced functional materials and serves as a forum for scientists, engineers, and students involved in this field. It comprises original ideas that lead to key principles in modelling and processes for sustainability. In an era where sustainable development is paramount, the significance of advanced functional materials cannot be overstated. These materials possess unique properties and functionalities that allow for the creation of innovative solutions to address pressing global challenges. However, their development must align with the principles of sustainability to ensure a harmonious balance between technological advancement and environmental preservation.

The current book is the product of contributions from professionals in the scientific community who work on various areas of material science connected to experimental and theoretical work aimed at understanding Advanced Functional Materials and their use in devices. It covers synthesis, characterization, functional characteristics, and mathematical modelling. The book aims to provide a comprehensive exploration of the intersection between advanced functional materials, computational modelling, and sustainable processes. It delves into the fundamental principles, cutting-edge techniques, and emerging trends in the field.

The journey begins with an introduction to the world of advanced functional materials, highlighting their immense potential and their role in sustainable development. We emphasise the need for computational modelling and simulation techniques as powerful tools for understanding and optimizing material properties. Through the chapters that follow, we embark on a deep dive into various aspects of sustainable material development.

We explore the modelling techniques used to study advanced functional materials, ranging from atomistic simulations to multiscale modelling. These techniques allow us to probe into the intricate structures and properties of materials, aiding in their design and optimization for sustainable applications. Additionally, we investigate sustainable synthesis and processing methods that minimize environmental impact and enhance resource efficiency. These methods encompass green chemistry principles, sol-gel techniques, and additive manufacturing among others.

Renewable energy systems and environmental remediation are two critical areas where advanced functional materials play a vital role. We dedicate chapters to these topics, discussing the design, modelling, and implementation of materials for sustainable energy generation, storage, and conversion. Furthermore, we explore how functional materials can contribute to environmental remediation, enabling efficient and eco-friendly solutions for wastewater treatment, air purification, and soil remediation.

To assess the sustainability of functional materials, we delve into life cycle assessment (LCA) methodologies, which evaluate the environmental, economic, and social impacts throughout the entire life cycle of a material. We explore how LCA can guide decision-making processes, facilitate eco-design strategies, and promote the adoption of sustainable materials in various industries.

In conclusion, "Advanced Functional Materials: Modelling and Processes for Sustainability" seeks to bridge the gap between materials science, computational modelling, and sustainability. We hope this book serves as a valuable resource for researchers, engineers, and industry professionals who are dedicated to the development of advanced functional materials that meet the needs of the present without compromizing the ability of future generations to thrive.

We extend our gratitude to all the contributors, whose expertise and passion have made this book possible. We also express our appreciation to the readers, whose curiosity and commitment to sustainable development continue to drive advancements in the field. Together, let us embark on this journey to unlock the potential of advanced functional materials and shape a more sustainable future.