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During the past 20 years, solid state physics has become one of the major branches of physics. 1-2 Today over one-third of all scientific articles published in physics deal with solid state 3 topics. During the last two decades, there has also been ra~id growth of scientific computation in a wide variety of fields. -5 The combination of solid state physics and comp~tation may be termed computational solid state physics. This emerging field is distin guished from theoretical solid state physics only to the extent that electronic computers rather than slide rules or backs of envelopes are used to solve numerical or logical problems, test scientific hypotheses, and discover the essential physical content of formal mathematical theories. Papers in computational solid state physics are widely scatter ed in the literature. They can be found in the traditional physics journals and review series, such as The Physical Review and Solid State Physics; in more specialized publications, such as Journal of Computational Physics, Computer Physics Communications, and Methods in Computational Physics; and in the proceedings of a number of re 6 9 cent conferences and seminar courses. - Plans for holding an International Symposium on Computational Solid State Physics in early October 1971 were formulated by Dr.
Powerful computers now enable scientists to model the physical and chemical properties and behavior of complex materials using first principles. This book introduces dramatically new computational techniques in materials research, specifically for understanding molecular dynamics.
Solid state physics, the study and prediction of the fundamental physical properties of materials, forms the backbone of modern materials science and has many technological applications. The unique feature of this text is the MATLAB®-based computational approach with several numerical techniques and simulation methods included. This is highly effective in addressing the need for visualization and a direct hands-on approach in learning the theoretical concepts of solid state physics. The code is freely available to all textbook users. Additional Features: Uses the pedagogical tools of computational physics that have become important in enhancing physics teaching of advanced subjects such as solid state physics Adds visualization and simulation to the subject in a way that enables students to participate actively in a hand-on approach Covers the basic concepts of solid state physics and provides students with a deeper understanding of the subject matter Provides unique example exercises throughout the text Obtains mathematical analytical solutions Carries out illustrations of important formulae results using programming scripts that students can run on their own and reproduce graphs and/or simulations Helps students visualize solid state processes and apply certain numerical techniques using MATLAB®, making the process of learning solid state physics much more effective Reinforces the examples discussed within the chapters through the use of end-of-chapter exercises Includes simple analytical and numerical examples to more challenging ones, as well as computational problems with the opportunity to run codes, create new ones, or modify existing ones to solve problems or reproduce certain results
This is the first book to present both classical and quantum-chemical approaches to computational methods, incorporating the many new developments in this field from the last few years. Written especially for "non"-theoretical readers in a readily comprehensible and implemental style, it includes numerous practical examples of varying degrees of difficulty. Similarly, the use of mathematical equations is reduced to a minimum, focusing only on those important for experimentalists. Backed by many extensive tables containing detailed data for direct use in the calculations, this is the ideal companion for all those wishing to improve their work in solid state research.
DIVThorough, modern study of solid state physics; solid types and symmetry, electron states, electronic properties and cooperative phenomena. /div
This book is a self-contained undergraduate textbook in solid state physics. Most excellent existing textbooks in this area are aimed at advanced students and/or have an encyclopaedic content; therefore, they are often overwhelmingly difficult and/or too wide for undergraduates. In contrast, this book is designed to accompany a one-semester, 2nd or 3rd year course aimed at a tutorial introduction to solid state physics. The book is highly accessible and focuses on a selected set of topics (basically, the physics of phonons and electrons in crystals), whilst also providing substantial, in-depth coverage of the subject. Emphasis is given to the underlying physical basis or principle for each topic, although applications are covered when it is possible to link them to fundamental physical concepts in a simple way. The author has taught undergraduate condensed matter physics for 17 years, and the book is based on this experience. Various pedagogical features are used in each chapter, including conceptual layout sections (defining the syllabus of each chapter), extensive use of figures (used to illustrate concepts, or to sketch experimental setups, or to present paradigmatic results) and highlights on the most important equations, definitions, and concepts.
This is the only book to cover the most recent developments in applied quantum theory and their use in modeling materials properties. It describes new approaches to modeling disordered alloys and focuses on those approaches that combine the most efficient quantum-level theories of random alloys with the most sophisticated numerical techniques. In doing so, it establishes a theoretical insight into the electronic structure of complex materials such as stainless steels, Hume-Rothery alloys and silicates.
Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.
Computer science and physics have been closely linked since the birth of modern computing. In recent years, an interdisciplinary area has blossomed at the junction of these fields, connecting insights from statistical physics with basic computational challenges. Researchers have successfully applied techniques from the study of phase transitions to analyze NP-complete problems such as satisfiability and graph coloring. This is leading to a new understanding of the structure of these problems, and of how algorithms perform on them. Computational Complexity and Statistical Physics will serve as a standard reference and pedagogical aid to statistical physics methods in computer science, with a particular focus on phase transitions in combinatorial problems. Addressed to a broad range of readers, the book includes substantial background material along with current research by leading computer scientists, mathematicians, and physicists. It will prepare students and researchers from all of these fields to contribute to this exciting area.
Computational Physics is now a discipline in its own right, comparable with theoretical and experimental physics. Computational Materials Science concentrates on the calculation of materials properties starting from microscopic theories. It has become a powerful tool in industrial research for designing new materials, modifying materials properties and optimizing chemical processes. This book focusses on the application of computational methods in new fields of research, such as nanotechnology, spintronics and photonics, which will provide the foundation for important technological advances in the future. Methods such as electronic structure calculations, molecular dynamics simulations and beyond are presented, the discussion extending from the basics to the latest applications.