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Electronic Structure and Magnetism of Complex Materials
Recent developments in electronic structure theory have led to a new understanding of magnetic materials at the microscopic level. This enables a truly first-principles approach to investigations of technologically important magnetic materials. Among the advances treated here have been practical schemes for handling non-collinear magnetic systems, including relativity, and an understanding of the origins and role of orbital magnetism within band structure formalisms. This book provides deep theoretical insight into magnetism, mahneatic materials, and magnetic systems. It covers these recent developments with review articles by some of the main originators of these developments.
NRL Review
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Topics in Computational Materials Science
This book describes the state-of-the-art research topics in theoretical materials science. It encompasses the computational methods and techniques which can advance more realistic calculations for understanding the physical principles in new growth methods of optoelectronic materials and related surface problems. These principles also govern the photonic, electronic, and structural properties of materials which are essential for device applications. They will also provide the crucial ingredients for the growth of future novel materials.
Review
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Band Structure of Cubic Hydrides
This book compiles detailed results of electronic structure calculations for most possible cubic monohydrides, dihydrides and selected trihydrides related to superconductivity, comprising elements with atomic numbers up to 103. Beginning with an introduction to the theory and details of the computational methods implemented, this handbook presents a collection of chapters containing results for different classes of cubic hydrides, featuring tables of three-centre and two-centre tight-binding parameterizations, diagrams of energy bands, and densities of states with angular momentum decomposition. Equilibrium lattice parameters and bulk moduli are also included, along with the electron-ion mat...
Molecular Networking
The book builds on the analogy between social groups and assemblies of molecules to introduce the concepts of statistical mechanics, machine learning and data science. Applying a data analytics approach to molecular systems, we show how individual (molecular) features and interactions between molecules, or "communication" processes, allow for the prediction of properties and collective behavior of molecular systems - just as polling and social networking shed light on the behavior of social groups. Applications to systems at the cutting-edge of research for biological, environmental, and energy applications are also presented. Key features: Draws on a data analytics approach of molecular systems. Covers hot topics such as artificial intelligence and machine learning of molecular trends. Contains applications to systems at the cutting-edge of research for biological, environmental and energy applications. Discusses molecular simulation and links with other important, emerging techniques and trends in computational sciences and society. Authors have a well-established track record and reputation in the field.
Walter Kohn
This is not a science book, nor even a book about science, although most of the contributors are scientists. It is a book of personal stories about Walter Kohn, a theoretical physicist and winner of half of the 1998 Nobel Prize in Chemistry. Walter Kohn originated and/or refined a number of very important theoretical approaches and concepts in solid-state physics. He is known in particular for Density-Functional Theory. This book represents a kind of "oral history" about him, gathered - in anticipation of his 80th birthday - from former students, collaborators, fellow-scientists, and friends.
Nanophase Materials
Nanophase Materials is the first and, as yet, the only comprehensive book published in this new and exciting area of materials science. It gives a broad overview of the revolutionary new field of nanophase materials; a view which spans the materials, physics, and chemistry research communities at a tutorial level that is suitable for advanced undergraduates, graduate students, postdoctoral researchers, and experts or would-be experts in the science of nanostructured materials. The articles are authored by many of the world's most prominent scientists in this field. The book covers the diverse methods for synthesizing nanophase materials, a variety of subsequent processing methodologies, what is known about the structures of these materials on various length scales from atomic to macroscopic, and the properties of these unique and novel materials. The materials properties covered are mechanical, electronic, optical, and magnetic and hence span a wide range of important new opportunities for technological applications.
