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Computational Ocean Acoustics (Modern Acoustics and Signal Processing)
by Henrik Schmidt Michael B. Porter Finn B. Jensen William A. KupermanSenior level/graduate level text/reference presenting state-of-the- art numerical techniques to solve the wave equation in heterogeneous fluid-solid media. Numerical models have become standard research tools in acoustic laboratories, and thus computational acoustics is becoming an increasingly important branch of ocean acoustic science. The first edition of this successful book, written by the recognized leaders of the field, was the first to present a comprehensive and modern introduction to computational ocean acoustics accessible to students. This revision, with 100 additional pages, completely updates the material in the first edition and includes new models based on current research. It includes problems and solutions in every chapter, making the book more useful in teaching (the first edition had a separate solutions manual). The book is intended for graduate and advanced undergraduate students of acoustics, geology and geophysics, applied mathematics, ocean engineering or as a reference in computational methods courses, as well as professionals in these fields, particularly those working in government (especially Navy) and industry labs engaged in the development or use of propagating models.
Computational Optical Biomedical Spectroscopy and Imaging
by Sarhan M. MusaComputational Optical Biomedical Spectroscopy and Imaging covers recent discoveries and research in the field by some of the best inventors and researchers in the world. It also presents useful computational methods and applications used in optical biomedical spectroscopy and imaging. Topics covered include:New trends in immunohistochemical, genome
Computational Optical Imaging: Principle and Technology (Advances in Optics and Optoelectronics)
by Zhengjun Liu Xuyang Zhou Shutian LiuThis book highlights a comprehensive introduction to the principles and calculation methods of computational optical imaging. Integrating optical imaging and computing technology to achieve significant performance improvements, computational optical imaging has become an active research field in optics. It has given rise to the emerging of new concepts such as computational imaging, computational measurement and computational photography. As high-performance image detectors make image measurements discrete and digital, images are mostly recorded in the form of discrete data, almost replacing the continuous medium used for pattern recording. Computational optical imaging technology has become an effective way for people to study microscopic imaging. At present, different imaging systems are composed of continuous optical elements such as lenses and prisms or discrete optical elements such as spatial light modulators or digital micro-mirror devices. The current computing technology has permeated all aspects of imaging systems and gradually promotes the digitization of optical imaging systems. This book summarizes the representative work done in this field and introduces the latest results. Computing technology plays an important bridging role between theories of optics and experimental systems, which inspires more comprehensive and in-depth research. It has the advantages of high repeatability, flexibility, strong computing power and low cost. In this multidisciplinary field, researchers in computer science, optics and information science have joined together to extend its depth and breadth. Targeting cutting-edge issues to be solved in computational optics, this book introduces a variety of methods that involve theoretical innovations and technical breakthroughs in imaging resolution, the field of view, imaging speed, and computing speed. It intends to provide a handy reference and technical support for graduate students, researchers and professionals engaged in the study and practice of computational optical imaging.
Computational Optical Phase Imaging (Progress in Optical Science and Photonics #21)
by Cheng Liu Shouyu Wang Suhas P. VeetilIn this book, computational optical phase imaging techniques are presented along with Matlab codes that allow the reader to run their own simulations and gain a thorough understanding of the current state-of-the-art. The book focuses on modern applications of computational optical phase imaging in engineering measurements and biomedical imaging. Additionally, it discusses the future of computational optical phase imaging, especially in terms of system miniaturization and deep learning-based phase retrieval.
Computational Organic Chemistry
by Steven M. BachrachThe Second Edition demonstrates how computational chemistry continues to shed new light on organic chemistryThe Second Edition of author Steven Bachrach's highly acclaimed Computational Organic Chemistry reflects the tremendous advances in computational methods since the publication of the First Edition, explaining how these advances have shaped our current understanding of organic chemistry. Readers familiar with the First Edition will discover new and revised material in all chapters, including new case studies and examples. There's also a new chapter dedicated to computational enzymology that demonstrates how principles of quantum mechanics applied to organic reactions can be extended to biological systems.Computational Organic Chemistry covers a broad range of problems and challenges in organic chemistry where computational chemistry has played a significant role in developing new theories or where it has provided additional evidence to support experimentally derived insights. Readers do not have to be experts in quantum mechanics. The first chapter of the book introduces all of the major theoretical concepts and definitions of quantum mechanics followed by a chapter dedicated to computed spectral properties and structure identification. Next, the book covers:Fundamentals of organic chemistryPericyclic reactionsDiradicals and carbenesOrganic reactions of anionsSolution-phase organic chemistryOrganic reaction dynamicsThe final chapter offers new computational approaches to understand enzymes. The book features interviews with preeminent computational chemists, underscoring the role of collaboration in developing new science. Three of these interviews are new to this edition.Readers interested in exploring individual topics in greater depth should turn to the book's ancillary website www.comporgchem.com, which offers updates and supporting information. Plus, every cited article that is available in electronic form is listed with a link to the article.
Computational Organometallic Chemistry
by Olaf Wiest Yundong WuComputational methods have become an indispensible tool for elucidating the mechanism of organometallic reactions. This snapshot of state-of-the-art computational studies provides an overview of the vast field of computational organometallic chemistry. Authors from Asia, Europe and the US have been selected to contribute a chapter on their specialist areas. Topics addressed include: DFT studies on zirconium-mediated reactions, force field methods in organometallic chemistry, hydrogenation of π-systems, oxidative functionalization of unactivated C-H bonds and olefins, the osmylation reaction, and cobalt carbonyl clusters. The breadth and depth of the contributions demonstrate not only the crucial role that computational methods play in the study of a wide range of organometallic reactions, but also attest the robust health of the field, which continues to benefit from, as well as inspire novel experimental studies.
Computational Organometallic Chemistry
by Thomas R. CundariThis work provides a how-to approach to the fundamentals, methodologies and dynamics of computational organometallic chemistry, including classical and molecular mechanics (MM), quantum mechanics (QM), and hybrid MM/QM techniques. It demonstrates applications in actinide chemistry, catalysis, main group chemistry, medicine, and organic synthesis.
Computational Paleontology
by Ashraf M.T. ElewaComputational paleontology is simply a term applied to using computers and its facilities in the field of paleontology. However, we should be exactly precise in describing the term through explaining the main themes of this motivating and attractive scientific field. The uppermost aim of this book is to explain how computation could be competent in fetching fossils to life and the past to present. Computers for paleontologists save time and costs, interpret mysterious events precisely and accurately, visualize the ancient life definitely and undeniably.
Computational Partial Differential Equations Using MATLAB® (Textbooks in Mathematics)
by Jichun Li Yi-Tung ChenIn this popular text for an Numerical Analysis course, the authors introduce several major methods of solving various partial differential equations (PDEs) including elliptic, parabolic, and hyperbolic equations. It covers traditional techniques including the classic finite difference method, finite element method, and state-of-the-art numercial methods.The text uniquely emphasizes both theoretical numerical analysis and practical implementation of the algorithms in MATLAB. This new edition includes a new chapter, Finite Value Method, the presentation has been tightened, new exercises and applications are included, and the text refers now to the latest release of MATLAB. Key Selling Points: A successful textbook for an undergraduate text on numerical analysis or methods taught in mathematics and computer engineering. This course is taught in every university throughout the world with an engineering department or school. Competitive advantage broader numerical methods (including finite difference, finite element, meshless method, and finite volume method), provides the MATLAB source code for most popular PDEs with detailed explanation about the implementation and theoretical analysis. No other existing textbook in the market offers a good combination of theoretical depth and practical source codes.
Computational Peptide Science: Methods and Protocols (Methods in Molecular Biology #2405)
by Thomas SimonsonThis volume details current and new computational methodologies to study peptides. Chapters guide readers through antimicrobial peptides, foldability, amyloid sheet formation, membrane-active peptides, organized peptide assemblies, protein-peptide interfaces, prediction of peptide-MHC complexes, advanced free energy simulations for peptide binding, and methods for high throughput peptide or miniprotein design. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists necessary materials, software, and reagents, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols. Authoritative and cutting-edge, Computational Peptides Science: Methods and Protocols aims to provide concepts, methods, and guidelines to help both novices and experienced workers benefit from today's new opportunities and challenges.
Computational Peptidology (Methods in Molecular Biology #1268)
by Peng Zhou Jian HuangIn this volume expert researchers detail in silico methods widely used to study peptides. These include methods and techniques covering the database, molecular docking, dynamics simulation, data mining, de novo design and structure modeling of peptides and protein fragments. Chapters focus on integration and application of technologies to analyze, model, identify, predict, and design a wide variety of bioactive peptides, peptide analogues and peptide drugs, as well as peptide-based biomaterials. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and key tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, Computational Peptidology seeks to aid scientists in the further study into this newly rising subfield.
Computational Pharmaceutical Solid State Chemistry
by Yuriy A. AbramovRecent trends within the pharmaceutical industry through the Quality by Design initiatives have seen a greater emphasis on the development of a molecular-scale understanding in the development of efficient manufacturing processes for active pharmaceutical ingredients (APIs) and their formulation into drug products. This book examines the state-of-the-art computational approaches to guide solid form experiments to optimize the physical and chemical properties of API related to its stability, bioavailability and formulatability. The book is intended to be used as a professional reference to researchers in Pharmaceutical industry and in academia and potentially as a text book reference for undergraduate, graduate and postgraduate students in the field of Computational Chemistry, Solid State Chemistry, Pharmaceutical Science and Material Science.
Computational Pharmaceutics
by Juergen Siepmann Dennis Douroumis Alfred Fahr Defang Ouyang Sean C. Smith Vladimir Torchilin Martin J. SnowdenMolecular modeling techniques have been widely used in drug discovery fields for rational drug design and compound screening. Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level. Computational pharmaceutics enables us to understand the mechanism of drug delivery, and to develop new drug delivery systems. The book discusses the modeling of different drug delivery systems, including cyclodextrins, solid dispersions, polymorphism prediction, dendrimer-based delivery systems, surfactant-based micelle, polymeric drug delivery systems, liposome, protein/peptide formulations, non-viral gene delivery systems, drug-protein binding, silica nanoparticles, carbon nanotube-based drug delivery systems, diamond nanoparticles and layered double hydroxides (LDHs) drug delivery systems. Although there are a number of existing books about rational drug design with molecular modeling techniques, these techniques still look mysterious and daunting for pharmaceutical scientists. This book fills the gap between pharmaceutics and molecular modeling, and presents a systematic and overall introduction to computational pharmaceutics. It covers all introductory, advanced and specialist levels. It provides a totally different perspective to pharmaceutical scientists, and will greatly facilitate the development of pharmaceutics. It also helps computational chemists to look for the important questions in the drug delivery field. This book is included in the Advances in Pharmaceutical Technology book series.
Computational Phonogram Archiving (Current Research in Systematic Musicology #5)
by Rolf BaderThe future of music archiving and search engines lies in deep learning and big data. Music information retrieval algorithms automatically analyze musical features like timbre, melody, rhythm or musical form, and artificial intelligence then sorts and relates these features. At the first International Symposium on Computational Ethnomusicological Archiving held on November 9 to 11, 2017 at the Institute of Systematic Musicology in Hamburg, Germany, a new Computational Phonogram Archiving standard was discussed as an interdisciplinary approach. Ethnomusicologists, music and computer scientists, systematic musicologists as well as music archivists, composers and musicians presented tools, methods and platforms and shared fieldwork and archiving experiences in the fields of musical acoustics, informatics, music theory as well as on music storage, reproduction and metadata. The Computational Phonogram Archiving standard is also in high demand in the music market as a search engine for music consumers. This book offers a comprehensive overview of the field written by leading researchers around the globe.
Computational Photonic Sensors
by Salah Obayya Mohamed Farhat HameedThis book provides a comprehensive overview of the photonic sensing field by covering plasmonics, photonic crystal, and SOI techniques from theory to real sensing applications. A literature review of ultra-sensitive photonic sensors, including their design and application in industry, makes this a self-contained and comprehensive resource for different types of sensors, with high value to the biosensor sector in particular. The book is organized into four parts: Part I covers the basic theory of wave propagation, basic principles of sensing, surface plasmon resonance, and silicon photonics; Part II details the computational modeling techniques for the analysis and prediction of photonic sensors; Part III and Part IV cover the various mechanisms and light matter interaction scenarios behind the design of photonic sensors including photonic crystal fiber sensors and SOI sensors. This book is appropriate for academics and researchers specializing in photonic sensors; graduate students in the early and intermediate stages working in the areas of photonics, sensors, biophysics, and biomedical engineering; and to biomedical, environmental, and chemical engineers.
Computational Photonics
by Salah ObayyaThis book explores the state-of-the art in computational modelling techniques for photonic devicesIn this book, the author provides a comprehensive coverage of modern numerical modelling techniques for designing photonic devices for use in modern optical telecommunications systems. In addition the book presents the state-of-the-art in computational photonics techniques, covering methods such as full-vectorial finite-element beam propagation, bidirectional beam propagation, complex-envelope alternative direction implicit finite difference time domain, multiresolution time domain, and finite volume time domain. The book guides the reader through the concepts of modelling, analysing, designing and optimising the performance of a wide range of photonic devices by building their own numerical code using these methods.Key Features:Provides a thorough presentation of the state-of-the art in computational modelling techniques for photonicsContains broad coverage of both frequency- and time-domain techniques to suit a wide range of photonic devicesReviews existing commercial software packages for photonicsPresents the advantages and disadvantages of the different modelling techniques as well as their suitability for various photonic devicesShows the reader how to model, analyse, design and optimise the performance of a wide range of photonic devices by building their own numerical code using these methodsAccompanying website contains the numerical examples representing the numerical techniques in this book, as well as several design examples (http://www.wiley.com/go/obayya_computational)This book will serve as an invaluable reference for researchers, optical telecommunications engineers, engineers in the photonics industry. PhD and MSc students undertaking courses in the areas of photonics and optical telecommunications will also find this book of interest.
Computational Physics: Fortran Version
by Steven E. KooninComputational Physics is designed to provide direct experience in the computer modeling of physical systems. Its scope includes the essential numerical techniques needed to "do physics" on a computer. Each of these is developed heuristically in the text, with the aid of simple mathematical illustrations. However, the real value of the book is in the eight Examples and Projects, where the reader is guided in applying these techniques to substantial problems in classical, quantum, or statistical mechanics. These problems have been chosen to enrich the standard physics curriculum at the advanced undergraduate or beginning graduate level. The book will also be useful to physicists, engineers, and chemists interested in computer modeling and numerical techniques. Although the user-friendly and fully documented programs are written in FORTRAN, a casual familiarity with any other high-level language, such as BASIC, PASCAL, or C, is sufficient. The codes in BASIC and FORTRAN are available on the web at http://www.computationalphysics.info. They are available in zip format, which can be expanded on UNIX, Window, and Mac systems with the proper software. The codes are suitable for use (with minor changes) on any machine with a FORTRAN-77 compatible compiler or BASIC compiler. The FORTRAN graphics codes are available as well. However, as they were originally written to run on the VAX, major modifications must be made to make them run on other machines.
Computational Physics: Problem Solving with Python
by Cristian C. Bordeianu Rubin H. Landau Manuel J. PáezComputational Physics The classic in the field for more than 25 years, now with increased emphasis on data science and new chapters on quantum computing, machine learning (AI), and general relativity Computational physics combines physics, applied mathematics, and computer science in a cutting-edge multidisciplinary approach to solving realistic physical problems. It has become integral to modern physics research because of its capacity to bridge the gap between mathematical theory and real-world system behavior. Computational Physics provides the reader with the essential knowledge to understand computational tools and mathematical methods well enough to be successful. Its philosophy is rooted in “learning by doing”, assisted by many sample programs in the popular Python programming language. The first third of the book lays the fundamentals of scientific computing, including programming basics, stable algorithms for differentiation and integration, and matrix computing. The latter two-thirds of the textbook cover more advanced topics such linear and nonlinear differential equations, chaos and fractals, Fourier analysis, nonlinear dynamics, and finite difference and finite elements methods. A particular focus in on the applications of these methods for solving realistic physical problems. Readers of the fourth edition of Computational Physics will also find: An exceptionally broad range of topics, from simple matrix manipulations to intricate computations in nonlinear dynamicsA whole suite of supplementary material: Python programs, Jupyter notebooks and videos Computational Physics is ideal for students in physics, engineering, materials science, and any subjects drawing on applied physics.
Computational Physics: Simulation of Classical and Quantum Systems (Graduate Texts in Physics)
by Philipp O.J. SchererThis textbook presents basic and advanced computational physics in a very didactic style. It contains very-well-presented and simple mathematical descriptions of many of the most important algorithms used in computational physics. Many clear mathematical descriptions of important techniques in computational physics are given. The first part of the book discusses the basic numerical methods. A large number of exercises and computer experiments allows to study the properties of these methods. The second part concentrates on simulation of classical and quantum systems. It uses a rather general concept for the equation of motion which can be applied to ordinary and partial differential equations. Several classes of integration methods are discussed including not only the standard Euler and Runge Kutta method but also multistep methods and the class of Verlet methods which is introduced by studying the motion in Liouville space. Besides the classical methods, inverse interpolation is discussed, together with the popular combined methods by Dekker and Brent and a not so well known improvement by Chandrupatla. A general chapter on the numerical treatment of differential equations provides methods of finite differences, finite volumes, finite elements and boundary elements together with spectral methods and weighted residual based methods. A comparison of several methods for quantum systems is performed, containing pseudo-spectral methods, finite differences methods, rational approximation to the time evolution operator, second order differencing and split operator methods.The book gives simple but non trivial examples from a broad range of physical topics trying to give the reader insight into the numerical treatment but also the simulated problems. Rotational motion is treated in much detail to describe the motion of rigid rotors which can be just a simple spinning top or a collection of molecules or planets. The behaviour of simple quantum systems is studied thoroughly. One focus is on a two level system in an external field. Solution of the Bloch equations allows the simulation of a quantum bit and to understand elementary principles from quantum optics. As an example of a thermodynamic system, the Lennard Jones liquid is simulated. The principles of molecular dynamics are shown with practical simulations. A second thermodynamic topic is the Ising model in one and two dimensions. The solution of the Poisson Boltzman equation is discussed in detail which is very important in Biophysics as well as in semiconductor physics. Besides the standard finite element methods, also modern boundary element methods are discussed. Waves and diffusion processes are simulated. Different methods are compared with regard to their stability and efficiency. Random walk models are studied with application to basic polymer physics. Nonlinear systems are discussed in detail with application to population dynamics and reaction diffusion systems. The exercises to the book are realized as computer experiments. A large number of Java applets is provided. It can be tried out by the reader even without programming skills. The interested reader can modify the programs with the help of the freely available and platform independent programming environment "netbeans".
Computational Plasma Physics: With Applications To Fusion And Astrophysics (Frontiers in Physics)
by Toshi TajimaThe physics of plasmas is an extremely rich and complex subject as the variety of topics addressed in this book demonstrates. This richness and complexity demands new and powerful techniques for investigating plasma physics. An outgrowth from his graduate course teaching, now with corrections, Tajima's text provides not only a lucid introduction to computational plasma physics, but also offers the reader many examples of the way numerical modeling, properly handled, can provide valuable physical understanding of the nonlinear aspects so often encountered in both laboratory and astrophysical plasmas. Included here are computational methods for modern nonlinear physics as applied to hydrodynamic turbulence, solitons, fast reconnection of magnetic fields, anomalous transports, dynamics of the sun, and more. The text contains examples of problems now solved using computational techniques including those concerning finite-size particles, spectral techniques, implicit differencing, gyrokinetic approaches, and particle simulation.
Computational Plasma Science: Physics and Selected Simulation Examples (Springer Series in Plasma Science and Technology)
by Shigeo KawataThe book presents fundamentals of plasma physics with rich references and computational techniques in a concise manner. It particularly focuses on introductions to numerical simulation methods in plasma physics, in addition to those to physics and mathematics in plasma physics. It also presents the fundamentals of numerical methods, which solve mathematical models of plasmas, together with examples of numerical results. A discretization method, the so-called finite difference method, is introduced for particle-in-cell methods and fluid codes, which have been widely employed in plasma physics studies. In addition to the introduction to numerical solutions, it also covers numerical stability. The instabilities and numerical errors significantly influence the results, and for correct results, great efforts are required to avoid such numerical artifacts. The book also carefully discusses the numerical errors, numerical stability, and uncertainty in numerical computations. Readers are expected to have an understanding of fundamental physics of mechanics, electromagnetism, thermodynamics, statistical physics, relativity, fluid dynamics, and mathematics, but the book does not assume background knowledge on plasma. Therefore, it is a first book of plasma physics for upper undergraduate and early graduate students who are interested in learning it.
Computational Problems for Physics: With Guided Solutions Using Python (Series in Computational Physics)
by Rubin H. Landau Manuel José PáezOur future scientists and professionals must be conversant in computational techniques. In order to facilitate integration of computer methods into existing physics courses, this textbook offers a large number of worked examples and problems with fully guided solutions in Python as well as other languages (Mathematica, Java, C, Fortran, and Maple). It’s also intended as a self-study guide for learning how to use computer methods in physics. The authors include an introductory chapter on numerical tools and indication of computational and physics difficulty level for each problem. Readers also benefit from the following features: • Detailed explanations and solutions in various coding languages. • Problems are ranked based on computational and physics difficulty. • Basics of numerical methods covered in an introductory chapter. • Programming guidance via flowcharts and pseudocode. Rubin Landau is a Distinguished Professor Emeritus in the Department of Physics at Oregon State University in Corvallis and a Fellow of the American Physical Society (Division of Computational Physics). Manuel Jose Paez-Mejia is a Professor of Physics at Universidad de Antioquia in Medellín, Colombia.
Computational Protein Design (Methods in Molecular Biology #1529)
by Ilan SamishThe aim this volume is to present the methods, challenges, software, and applications of this widespread and yet still evolving and maturing field. Computational Protein Design, the first book with this title, guides readers through computational protein design approaches, software and tailored solutions to specific case-study targets. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Computational Protein Design aims to ensure successful results in the further study of this vital field.
Computational Protein-Protein Interactions
by Ruth Nussinov Gideon SchreiberOften considered the workhorse of the cellular machinery, proteins are responsible for functions ranging from molecular motors to signaling. The broad recognition of their involvement in all cellular processes has led to focused efforts to predict their functions from sequences, and if available, from their structures. An overview of current resear