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Computational Methods In Solid State Physics


Computational Methods In Solid State Physics
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Computational Methods In Solid State Physics


Computational Methods In Solid State Physics
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Author : V V Nemoshkalenko
language : en
Publisher: CRC Press
Release Date : 1999-02-19

Computational Methods In Solid State Physics written by V V Nemoshkalenko and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999-02-19 with Science categories.


The combination of theoretical physics methods, numerical mathematics and computers has given rise to a new field of physics known as "computational physics." The purpose of this monograph is to present the various methods of computational physics, in particular the methods of band theory. The first chapter of the book provides an introduction to the field and presents the theoretical foundations of band theory. In the second and third chapters the authors describe both traditional and more modern methods of band theory and include practical recommendations for their use. Methods which are discussed include APW (augmented plane wave), Green's function method, LMTO (linear method of MT- orbitals), LKKR (linear Korringer, Kohn and Rostocker method), LAPW (linear augmented plane wave), ASW (augmented spherical waves), and LASO (linear method of augmented Slater orbitals). Great attention is paid to the practical aspects of these theories and the book is structured in such a way as to enable the reader to use any method in practice without reference to other sources.



Introductory Solid State Physics With Matlab Applications


Introductory Solid State Physics With Matlab Applications
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Author : Javier E. Hasbun
language : en
Publisher: CRC Press
Release Date : 2019-10-08

Introductory Solid State Physics With Matlab Applications written by Javier E. Hasbun and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-10-08 with Science categories.


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



Experimental And Computational Techniques In Soft Condensed Matter Physics


Experimental And Computational Techniques In Soft Condensed Matter Physics
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Author : Jeffrey Olafsen
language : en
Publisher: Cambridge University Press
Release Date : 2010-09-02

Experimental And Computational Techniques In Soft Condensed Matter Physics written by Jeffrey Olafsen and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-09-02 with Science categories.


Soft condensed matter physics relies on a fundamental understanding at the interface between physics, chemistry, biology, and engineering for a host of materials and circumstances that are related to, but outside, the traditional definition of condensed matter physics. Featuring contributions from leading researchers in the field, this book uniquely discusses both the contemporary experimental and computational manifestations of soft condensed matter systems. From particle tracking and image analysis, novel materials and computational methods, to confocal microscopy and bacterial assays, this book will equip the reader for collaborative and interdisciplinary research efforts relating to a range of modern problems in nonlinear and non-equilibrium systems. It will enable both graduate students and experienced researchers to supplement a more traditional understanding of thermodynamics and statistical systems with knowledge of the techniques used in contemporary investigations. Color versions of a selection of the figures are available at www.cambridge.org/9780521115902.



Computational Chemistry Of Solid State Materials


Computational Chemistry Of Solid State Materials
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Author : Richard Dronskowski
language : en
Publisher: John Wiley & Sons
Release Date : 2008-01-08

Computational Chemistry Of Solid State Materials written by Richard Dronskowski and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-01-08 with Science categories.


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.



Computational Approaches In Physics


Computational Approaches In Physics
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Author : Maria Fyta
language : en
Publisher: Morgan & Claypool Publishers
Release Date : 2016-11-01

Computational Approaches In Physics written by Maria Fyta and has been published by Morgan & Claypool Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-11-01 with Computers categories.


Computational Approaches in Physics reviews computational schemes which are used in the simulations of physical systems. These range from very accurate ab initio techniques up to coarse-grained and mesoscopic schemes. The choice of the method is based on the desired accuracy and computational efficiency. A bottom-up approach is used to present the various simulation methods used in Physics, starting from the lower level and the most accurate methods, up to particle-based ones. The book outlines the basic theory underlying each technique and its complexity, addresses the computational implications and issues in the implementation, as well as present representative examples. A link to the most common computational codes, commercial or open source is listed in each chapter. The strengths and deficiencies of the variety of techniques discussed in this book are presented in detail and visualization tools commonly used to make the simulation data more comprehensive are also discussed. In the end, specific techniques are used as bridges across different disciplines. To this end, examples of different systems tackled with the same methods are presented. The appendices include elements of physical theory which are prerequisites in understanding the simulation methods.



Electronic Structure Calculations For Solids And Molecules


Electronic Structure Calculations For Solids And Molecules
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Author : Jorge Kohanoff
language : en
Publisher: Cambridge University Press
Release Date : 2006-06-29

Electronic Structure Calculations For Solids And Molecules written by Jorge Kohanoff and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-06-29 with Science categories.


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.



Computational Methods For Large Molecules And Localized States In Solids


Computational Methods For Large Molecules And Localized States In Solids
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Author : F. Herman
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Computational Methods For Large Molecules And Localized States In Solids written by F. Herman and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.


During the past few years, there has been dramatic progress in theoretical and computational studies of large molecules and local ized states in solids. Various semi-empirical and first-principles methods well known in quantum chemistry have been applied with considerable success to ever larger and more complex molecules, including some of biological importance, as well as to selected solid state problems involving localized electronic states. In creasingly, solid state physicists are adopting a molecular point of view in attempting to understand the nature of electronic states associated with (a) isolated structural and chemical defects in solids; (b) surfaces and interfaces; and (c) bulk disordered solids, most notably amorphous semiconductors. Moreover, many concepts and methods already widely used in solid state physics are being adapted to molecular problems. These adaptations include pseudopotentials, statistical exchange approxi mations, muffin-tin model potentials, and multiple scattering and cellular methods. In addition, many new approaches are being de vised to deal with progressively more complex molecular and local ized electronic state problems.



Symmetry And Condensed Matter Physics


Symmetry And Condensed Matter Physics
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Author : M. El-Batanouny
language : en
Publisher: Cambridge University Press
Release Date : 2008-03-13

Symmetry And Condensed Matter Physics written by M. El-Batanouny and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-03-13 with Science categories.


Unlike existing texts, this book blends for the first time three topics in physics - symmetry, condensed matter physics and computational methods - into one pedagogical textbook. It includes new concepts in mathematical crystallography; experimental methods capitalizing on symmetry aspects; non-conventional applications such as Fourier crystallography, color groups, quasicrystals and incommensurate systems; as well as concepts and techniques behind the Landau theory of phase transitions. Adopting a computational approach to the application of group theoretical techniques to solving symmetry related problems, it dramatically alleviates the need for intensive calculations usually found in the presentation of symmetry. Writing computer programs helps the student achieve a firm understanding of the underlying concepts, and sample programs, based on Mathematica, are presented throughout the book. Containing over 150 exercises, this textbook is ideal for graduate students in condensed matter physics, materials science, and chemistry. Solutions and computer programs are available online at www.cambridge.org/9780521828451.



Computational Methods For Solids And Fluids


Computational Methods For Solids And Fluids
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Author : Adnan Ibrahimbegovic
language : en
Publisher: Springer
Release Date : 2016-02-12

Computational Methods For Solids And Fluids written by Adnan Ibrahimbegovic and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-02-12 with Technology & Engineering categories.


This volume contains the best papers presented at the 2nd ECCOMAS International Conference on Multiscale Computations for Solids and Fluids, held June 10-12, 2015. Topics dealt with include multiscale strategy for efficient development of scientific software for large-scale computations, coupled probability-nonlinear-mechanics problems and solution methods, and modern mathematical and computational setting for multi-phase flows and fluid-structure interaction. The papers consist of contributions by six experts who taught short courses prior to the conference, along with several selected articles from other participants dealing with complementary issues, covering both solid mechanics and applied mathematics.



Computational Pharmaceutical Solid State Chemistry


Computational Pharmaceutical Solid State Chemistry
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Author : Yuriy A. Abramov
language : en
Publisher: John Wiley & Sons
Release Date : 2016-04-18

Computational Pharmaceutical Solid State Chemistry written by Yuriy A. Abramov and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-04-18 with Science categories.


This book is the first to combine computational material science and modeling of molecular solid states for pharmaceutical industry applications. • Provides descriptive and applied state-of-the-art computational approaches and workflows to guide pharmaceutical solid state chemistry experiments and to support/troubleshoot API solid state selection • Includes real industrial case examples related to application of modeling methods in problem solving • Useful as a supplementary reference/text for undergraduate, graduate and postgraduate students in computational chemistry, pharmaceutical and biotech sciences, and materials science