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Computational Methods for Electromagnetic and Optical Systems (Optical Science and Engineering)
by John M. Jarem Partha P. BanerjeeThe current rapid and complex advancement applications of electromagnetic (EM) and optical systems calls for a much needed update on the computational methods currently in use. Completely revised and reflecting ten years of develoments, this second edition of the bestselling Computational Methods for Electromagnetic and Optical Systems provides the
Computational Methods for Estimating the Kinetic Parameters of Biological Systems (Methods in Molecular Biology #2385)
by Quentin VanhaelenThis detailed book provides an overview of various classes of computational techniques, including machine learning techniques, commonly used for evaluating kinetic parameters of biological systems. Focusing on three distinct situations, the volume covers the prediction of the kinetics of enzymatic reactions, the prediction of the kinetics of protein-protein or protein-ligand interactions (binding rates, dissociation rates, binding affinities), and the prediction of relatively large set of kinetic rates of reactions usually found in quantitative models of large biological networks. Written for the highly successful Methods in Molecular Biology series, chapters include the kind of expert implementation advice that leads to successful results. Authoritative and practical, Computational Methods for Estimating the Kinetic Parameters of Biological Systems will be of great interest for researchers working through the challenge of identifying the best type of algorithm and who would like to use or develop a computational method for the estimation of kinetic parameters.
Computational Methods for Large Systems: Electronic Structure Approaches for Biotechnology and Nanotechnology
by Jeffrey R. ReimersWhile its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and nanotechnology and provides a balanced treatment of topics that teach strengths and weaknesses, appropriate and inappropriate methods. It’s a book that will enhance the your calculating confidence and improve your ability to predict new effects and solve new problems.
Computational Methods for Microstructure-Property Relationships
by Dennis Dimiduk Somnath GhoshComputational Methods for Microstructure-Property Relationships introduces state-of-the-art advances in computational modeling approaches for materials structure-property relations. Written with an approach that recognizes the necessity of the engineering computational mechanics framework, this volume provides balanced treatment of heterogeneous materials structures within the microstructural and component scales. Encompassing both computational mechanics and computational materials science disciplines, this volume offers an analysis of the current techniques and selected topics important to industry researchers, such as deformation, creep and fatigue of primarily metallic materials. Researchers, engineers and professionals involved with predicting performance and failure of materials will find Computational Methods for Microstructure-Property Relationships a valuable reference.
Computational Methods for Nanoscale Applications: Particles, Plasmons and Waves (Nanostructure Science and Technology)
by Igor TsukermanPositioning itself at the common boundaries of several disciplines, this work provides new perspectives on modern nanoscale problems where fundamental science meets technology and computer modeling. In addition to well-known computational techniques such as finite-difference schemes and Ewald summation, the book presents a new finite-difference calculus of Flexible Local Approximation Methods (FLAME) that qualitatively improves the numerical accuracy in a variety of problems.
Computational Methods for Physicists: Compendium for Students (Graduate Texts in Physics)
by Simon Sirca Martin HorvatThis book helps advanced undergraduate, graduate and postdoctoral students in their daily work by offering them a compendium of numerical methods. The choice of methods pays significant attention to error estimates, stability and convergence issues as well as to the ways to optimize program execution speeds. Many examples are given throughout the chapters, and each chapter is followed by at least a handful of more comprehensive problems which may be dealt with, for example, on a weekly basis in a one- or two-semester course. In these end-of-chapter problems the physics background is pronounced, and the main text preceding them is intended as an introduction or as a later reference. Less stress is given to the explanation of individual algorithms. It is tried to induce in the reader an own independent thinking and a certain amount of scepticism and scrutiny instead of blindly following readily available commercial tools.
Computational Methods for Plasticity
by D. Peric E. A. de Souza Neto D. R. OwenThe subject of computational plasticity encapsulates the numerical methods used for the finite element simulation of the behaviour of a wide range of engineering materials considered to be plastic - i.e. those that undergo a permanent change of shape in response to an applied force. Computational Methods for Plasticity: Theory and Applications describes the theory of the associated numerical methods for the simulation of a wide range of plastic engineering materials; from the simplest infinitesimal plasticity theory to more complex damage mechanics and finite strain crystal plasticity models. It is split into three parts - basic concepts, small strains and large strains. Beginning with elementary theory and progressing to advanced, complex theory and computer implementation, it is suitable for use at both introductory and advanced levels. The book:Offers a self-contained text that allows the reader to learn computational plasticity theory and its implementation from one volume.Includes many numerical examples that illustrate the application of the methodologies described.Provides introductory material on related disciplines and procedures such as tensor analysis, continuum mechanics and finite elements for non-linear solid mechanics.Is accompanied by purpose-developed finite element software that illustrates many of the techniques discussed in the text, downloadable from the book's companion website.This comprehensive text will appeal to postgraduate and graduate students of civil, mechanical, aerospace and materials engineering as well as applied mathematics and courses with computational mechanics components. It will also be of interest to research engineers, scientists and software developers working in the field of computational solid mechanics.
Computational Methods for Precision Oncology (Advances in Experimental Medicine and Biology #1361)
by Alessandro LaganàPrecision medicine holds great promise for the treatment of cancer and represents a unique opportunity for accelerated development and application of novel and repurposed therapeutic approaches. Current studies and clinical trials demonstrate the benefits of genomic profiling for patients whose cancer is driven by specific, targetable alterations. However, precision oncologists continue to be challenged by the widespread heterogeneity of cancer genomes and drug responses in designing personalized treatments. Chapters provide a comprehensive overview of the computational approaches, methods, and tools that enable precision oncology, as well as related biological concepts. Covered topics include genome sequencing, the architecture of a precision oncology workflow, and introduces cutting-edge research topics in the field of precision oncology. This book is intended for computational biologists, bioinformaticians, biostatisticians and computational pathologists working in precision oncology and related fields, including cancer genomics, systems biology, and immuno-oncology.
Computational Methods for Processing and Analysis of Biological Pathways (SpringerBriefs in Computer Science)
by Anastasios Bezerianos Andrei Dragomir Panos BalomenosThis work offers a guided walkthrough of one of the most promising research areas in modern life sciences, enabling a deeper understanding of involved concepts and methodologies via an interdisciplinary view, focusing on both well-established approaches and cutting-edge research. Highlighting what pathway analysis can offer to both the experimentalist and the modeler, the text opens with an introduction to a general methodology that outlines common workflows shared by several methods. This is followed by a review of pathway and sub-pathway based approaches for systems pharmacology. The work then presents an overview of pathway analysis methods developed to model the temporal aspects of drug- or disease-induced perturbations and extract relevant dynamic themes. The text concludes by discussing several state-of-the-art methods in pathway analysis, which address the important problem of identifying differentially expressed pathways and sub-pathways.
Computational Methods for Rational Drug Design
by Mithun RudrapalComprehensive resource covering computational tools and techniques for the development of cost-effective drugs to combat diseases, with specific disease examples Computational Methods for Rational Drug Design covers the tools and techniques of drug design with applications to the discovery of small molecule-based therapeutics, detailing methodologies and practical applications and addressing the challenges of techniques like AI/ML and drug design for unknown receptor structures. Divided into 23 chapters, the contributors address various cutting-edge areas of therapeutic importance such as neurodegenerative disorders, cancer, multi-drug resistant bacterial infections, inflammatory diseases, and viral infections. Edited by a highly qualified academic with significant research contributions to the field, Computational Methods for Rational Drug Design explores topics including: Computer-assisted methods and tools for structure- and ligand-based drug design, virtual screening and lead discovery, and ADMET and physicochemical assessmentsIn silico and pharmacophore modeling, fragment-based design, de novo drug design and scaffold hopping, network-based methods and drug discoveryRational design of natural products, peptides, enzyme inhibitors, drugs for neurodegenerative disorders, anti-inflammatory therapeutics, antibacterials for multi-drug resistant infections, and antiviral and anticancer therapeuticsProtac and protide strategies in drug design, intrinsically disordered proteins (IDPs) in drug discovery and lung cancer treatment through ALK receptor-targeted drug metabolism and pharmacokinetics Helping readers seamlessly navigate the challenges of drug design, Computational Methods for Rational Drug Design is an essential reference for pharmaceutical and medicinal chemists, biochemists, pharmacologists, and phytochemists, along with molecular modeling and computational drug discovery professionals.
Computational Methods for Reproductive and Developmental Toxicology (QSAR in Environmental and Health Sciences)
by Donald R. MattisonBuilding from the perspective of reproductive and developmental biology, Computational Methods for Reproductive and Developmental Toxicology provides a timely and comprehensive overview of approaches in reproductive and developmental toxicology.The book, which is part of the QSAR in Environmental and Health Sciences series, is divided into three br
Computational Methods for Sensor Material Selection (Integrated Analytical Systems)
by Charles J. Taylor Margaret A. Ryan M. L. Homer Mario Blanco Joseph R. Stetter Abhijit V. ShevadeChemical vapor sensing arrays have grown in popularity over the past two decades, finding applications for tasks such as process control, environmental monitoring, and medical diagnosis. This is the first in-depth analysis of the process of choosing materials and components for these "electronic noses", with special emphasis on computational methods. For a view of component selection with an experimental perspective, readers may refer to the complementary volume of Integrated Microanalytical Systems entitled "Combinatorial Methodologies for Sensor Materials."
Computational Methods for Solids and Fluids: Multiscale Analysis, Probability Aspects and Model Reduction (Computational Methods in Applied Sciences #41)
by Adnan IbrahimbegovicThis 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 Methods for Three-Dimensional Microscopy Reconstruction (Applied and Numerical Harmonic Analysis)
by Joachim Frank Gabor T. HermanApproaches to the recovery of three-dimensional information on a biological object, which are often formulated or implemented initially in an intuitive way, are concisely described here based on physical models of the object and the image-formation process. Both three-dimensional electron microscopy and X-ray tomography can be captured in the same mathematical framework, leading to closely-related computational approaches, but the methodologies differ in detail and hence pose different challenges. The editors of this volume, Gabor T. Herman and Joachim Frank, are experts in the respective methodologies and present research at the forefront of biological imaging and structural biology. Computational Methods for Three-Dimensional Microscopy Reconstruction will serve as a useful resource for scholars interested in the development of computational methods for structural biology and cell biology, particularly in the area of 3D imaging and modeling.
Computational Methods for Transition States and Pathways in Rare Events
by Shuting GuBased on the calculation of transition states and the identification of transition paths, this book aims to provide a comprehensive guide to understanding and simulating rare events.The author introduces both fundamental concepts of transition states and pathways and advanced computational techniques, focusing on Gentlest Ascent Dynamics (GAD) and its variants. In particular, she explores enhanced numerical methods such as the convex splitting method and the Scalar Auxiliary Variable (SAV) approach within the Iterative Minimization Formulation (IMF). In addition, the book applies these methods to real-world problems, highlighting the string method and the geometric Minimum Action Method (gMAM) for computing transition paths.The book is written for researchers and practitioners in fields such as applied mathematics, physics, chemistry, and computational science who are interested in the underlying mechanisms of rare events and their transition processes.Chapters 3 and 4 of this book are each freely available as a downloadable Open Access PDF at http://www.taylorfrancis.com under a Creative Commons Attribution-Non Commercial-No Derivatives (CC-BY-NC-ND) 4.0 license.
Computational Methods in Biomedical Research
by Ian MuehlenhausContinuing advances in biomedical research and statistical methods call for a constant stream of updated, cohesive accounts of new developments so that the methodologies can be properly implemented in the biomedical field. Responding to this need, Computational Methods in Biomedical Research explores important current and emerging computatio
Computational Methods in Earthquake Engineering: Volume 2 (Computational Methods in Applied Sciences #30)
by Manolis Papadrakakis Michalis Fragiadakis Vagelis PlevrisThis book provides an insight on advanced methods and concepts for the design and analysis of structures against earthquake loading. This second volume is a collection of 28 chapters written by leading experts in the field of structural analysis and earthquake engineering. Emphasis is given on current state-of-the-art methods and concepts in computing methods and their application in engineering practice. The book content is suitable for both practicing engineers and academics, covering a wide variety of topics in an effort to assist the timely dissemination of research findings for the mitigation of seismic risk. Due to the devastating socioeconomic consequences of seismic events, the topic is of great scientific interest and is expected to be of valuable help to scientists and engineers. The chapters of this volume are extended versions of selected papers presented at the COMPDYN 2011 conference, held in the island of Corfu, Greece, under the auspices of the European Community on Computational Methods in Applied Sciences (ECCOMAS).
Computational Methods in Electromagnetic Compatibility: Antenna Theory Approach Versus Transmission Line Models
by Dragan Poljak Khalil El DrissiOffers a comprehensive overview of the recent advances in the area of computational electromagnetics Computational Method in Electromagnetic Compatibility offers a review of the most recent advances in computational electromagnetics. The authors—noted experts in the field—examine similar problems by taking different approaches related to antenna theory models and transmission line methods. They discuss various solution methods related to boundary integral equation techniques and finite difference techniques. The topics covered are related to realistic antenna systems including antennas for air traffic control or ground penetrating radar antennas; grounding systems (such as grounding systems for wind turbines); biomedical applications of electromagnetic fields (such as transcranial magnetic stimulation); and much more. The text features a number of illustrative computational examples and a reference list at the end of each chapter. The book is grounded in a rigorous theoretical approach and offers mathematical details of the formulations and solution methods. This important text: Provides a trade-off between a highly efficient transmission line approach and antenna theory models providing analysis of high frequency and transient phenomena Contains the newest information on EMC analysis and design principles Discusses electromagnetic field coupling to thin wire configurations and modeling in bioelectromagnetics Written for engineering students, senior researchers and practicing electrical engineers, Computational Method in Electromagnetic Compatibility provides a valuable resource in the design of equipment working in a common electromagnetic environment.
Computational Methods in Engineering
by S. P. Venkateshan Prasanna SwaminathanThe book is designed to serve as a textbook for courses offered to graduate and upper-undergraduate students enrolled in mechanical engineering. The book attempts to make students with mathematical backgrounds comfortable with numerical methods. The book also serves as a handy reference for practicing engineers who are interested in applications. The book is written in an easy-to-understand manner, with the essence of each numerical method clearly stated. This makes it easy for professional engineers, students, and early career researchers to follow the material presented in the book. The structure of the book has been modeled accordingly. It is divided into four modules: i) solution of a system of equations and eigenvalues which includes linear equations, determining eigenvalues, and solution of nonlinear equations; ii) function approximations: interpolation, data fit, numerical differentiation, and numerical integration; iii) solution of ordinary differential equations—initial value problems and boundary value problems; and iv) solution of partial differential equations—parabolic, elliptic, and hyperbolic PDEs. Each section of the book includes exercises to reinforce the concepts, and problems have been added at the end of each chapter. Exercise problems may be solved by using computational tools such as scientific calculators, spreadsheet programs, and MATLAB codes. The detailed coverage and pedagogical tools make this an ideal textbook for students, early career researchers, and professionals.
Computational Methods in Lanthanide and Actinide Chemistry
by Michael DolgThe f-elements and their compounds often possess an unusually complex electronic structure, governed by the high number of electronic states arising from open f-shells as well as large relativistic and electron correlation effects. A correct theoretical description of these elements poses the highest challenges to theory. Computational Methods in Lanthanide and Actinide Chemistry summarizes state-of-the-art electronic structure methods applicable for quantum chemical calculations of lanthanide and actinide systems and presents a broad overview of their most recent applications to atoms, molecules and solids. The book contains sixteen chapters, written by leading experts in method development as well as in theoretical investigations of f-element systems. Topics covered include: * Relativistic configuration interaction calculations for lanthanide and actinide anions * Study of actinides by relativistic coupled cluster methods * Relativistic all-electron approaches to the study of f- element chemistry * Relativistic pseudopotentials and their applications * Gaussian basis sets for lanthanide and actinide elements * Applied computational actinide chemistry This book will serve as a comprehensive reference work for quantum chemists and computational chemists, both those already working in, and those planning to enter the field of quantum chemistry for f-elements. Experimentalists will also find important information concerning the capabilities of modern quantum chemical methods to assist in the interpretation or even to predict the outcome of their experiments.
Computational Methods in Organometallic Catalysis: From Elementary Reactions to Mechanisms
by Yu LanThe book includes a historical introduction to organometallic chemistry, a survey of mechanisms, and an extensive introduction to quantum mechanical computational methods.
Computational Methods in Photochemistry
by Andrei G. KutateladzeAddressing critical aspects of computational modeling in photochemistry, Molecular Methods in Photochemistry is designed to familiarize researchers and practitioners with state-of-the-art computational methods to predict the reactivity of excited molecules. It provides practical guidelines and examples for the modeling of excited states and describ
Computational Methods in Physics: Compendium for Students (Graduate Texts in Physics)
by Martin Horvat Simon ŠircaThis book is intended to help advanced undergraduate, graduate, and postdoctoral students in their daily work by offering them a compendium of numerical methods. The choice of methods pays significant attention to error estimates, stability and convergence issues, as well as optimization of program execution speeds. Numerous examples are given throughout the chapters, followed by comprehensive end-of-chapter problems with a more pronounced physics background, while less stress is given to the explanation of individual algorithms. The readers are encouraged to develop a certain amount of skepticism and scrutiny instead of blindly following readily available commercial tools. The second edition has been enriched by a chapter on inverse problems dealing with the solution of integral equations, inverse Sturm-Liouville problems, as well as retrospective and recovery problems for partial differential equations. The revised text now includes an introduction to sparse matrix methods, the solution of matrix equations, and pseudospectra of matrices; it discusses the sparse Fourier, non-uniform Fourier and discrete wavelet transformations, the basics of non-linear regression and the Kolmogorov-Smirnov test; it demonstrates the key concepts in solving stiff differential equations and the asymptotics of Sturm-Liouville eigenvalues and eigenfunctions. Among other updates, it also presents the techniques of state-space reconstruction, methods to calculate the matrix exponential, generate random permutations and compute stable derivatives.
Computational Methods in Physics: Compendium for Students (Graduate Texts in Physics)
by Martin Horvat Simon ŠircaThis textbook provides a compendium of numerical methods to assist physics students and researchers in their daily work. It carefully considers error estimates, stability and convergence issues, the choice of optimal methods, and techniques to increase program execution speeds. The book supplies numerous examples throughout the chapters that are concluded by more comprehensive problems with a strong physics background. Instead of uncritically employing modern black-box tools, the readers are encouraged to develop a more ponderous and skeptical approach. This revised and expanded edition now includes a new chapter on numerical integration and stable differentiation, as well as fresh material on optimal filtering, integration of gravitational many-body problems, computation of Poincaré maps, regularization of orbits, singular Sturm-Liouville problems, techniques for time evolution and spatial treatment of (semi)infinite domains in spectral methods, and phase retrieval. It also brings updated discussions of algebraic problems involving sparse matrices and of high-resolution schemes for partial differential equations.
Computational Methods in Plasma Physics (Chapman & Hall/CRC Computational Science)
by Stephen JardinAssuming no prior knowledge of plasma physics or numerical methods, Computational Methods in Plasma Physics covers the computational mathematics and techniques needed to simulate magnetically confined plasmas in modern magnetic fusion experiments and future magnetic fusion reactors. Largely self-contained, the text presents the basic concepts neces