Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.
Today, more than fifty years after the Salk vaccine was declared safe and effective against polio, the virus remains an active killer and crippler in several Third World countries'a fact that most of us around the globe have forgotten. But Janice Flood Nichols will never forget. A childhood victim of the 1953 Dewitt, New York, polio epidemic, her personal and professional life have been profoundly shaped by her experience. Nichols lost her twin brother, Frankie, to the disease and suffered temporary paralysis, leading her to choose a career as a rehabilitation counselor. Despite setbacks, Nichols has never lost her optimism. In this heartwarming memoir, she offers an intimate account of her miraculous steps to healing, the simple ways she continues to celebrate her brother's short but joyous life, and her unwavering determination to help eradicate the virus from the world.Twin Voicesprovides a unique and timely glimpse into one of the twentieth century's most deadly diseases.
Major Infrastructure Planning and Delivery introduces the system for planning and consenting Nationally Significant Infrastructure Projects (NSIPs) in England (which has also applied for some schemes in Wales). These are the major projects involving power stations and large renewable energy schemes, motorways, railways and a range of other high profile, high impact and sometimes controversial development schemes, and including some closely linked to the UK’s transition to Net Zero. The book explains where this separate system for governing major infrastructure came from and how it operates in practice, with a particular focus on the relationship between planning, consent and delivery of these infrastructure projects. Detailed case studies of the A14 highway, Thames Tideway super sewer, Galloper offshore windfarm and Progress Power station, drawing on research by the authors, illustrate issues of the often overlooked continuing role of local government, the engagement of local communities and stakeholders, and the modification of schemes between consent and construction. At a time of ongoing government planning reform, increased concern about climate change, and still unresolved consequences of Brexit, as well as timeless debates such as over national need versus local impact, this timely book offers rich detail on the particular approach to major infrastructure planning in England, but also speaks to wider issues around the governance of development and implementation of government policy under late capitalism.
The latest edition of Making Sense of Fibromyalgia is written by well known, widely published experts in the field. It distills complex concepts of amplified pain into a easily readable and understandable narrative. This monograph is aimed at college educated laypersons, allied health professionals, patients, and treating physicians.
Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.
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