Computational Methods for Nanoscale Applications

Computational Methods for Nanoscale Applications

Positioning 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.

Author: Igor Tsukerman

Publisher: Springer Science & Business Media

ISBN: 0387747788

Category: Technology & Engineering

Page: 532

View: 405

Positioning 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.
Categories: Technology & Engineering

An Introductory Guide to Computational Methods for the Solution of Physics Problems

An Introductory Guide to Computational Methods for the Solution of Physics Problems

In addition, the work develops the criteria required for students to select the most suitable method to solve the particular scientific problem that they are confronting.

Author: George Rawitscher

Publisher: Springer

ISBN: 3319427024

Category: Science

Page: 221

View: 813

This monograph presents fundamental aspects of modern spectral and other computational methods, which are not generally taught in traditional courses. It emphasizes concepts as errors, convergence, stability, order and efficiency applied to the solution of physical problems. The spectral methods consist in expanding the function to be calculated into a set of appropriate basis functions (generally orthogonal polynomials) and the respective expansion coefficients are obtained via collocation equations. The main advantage of these methods is that they simultaneously take into account all available information, rather only the information available at a limited number of mesh points. They require more complicated matrix equations than those obtained in finite difference methods. However, the elegance, speed, and accuracy of the spectral methods more than compensates for any such drawbacks. During the course of the monograph, the authors examine the usually rapid convergence of the spectral expansions and the improved accuracy that results when nonequispaced support points are used, in contrast to the equispaced points used in finite difference methods. In particular, they demonstrate the enhanced accuracy obtained in the solutionof integral equations. The monograph includes an informative introduction to old and new computational methods with numerous practical examples, while at the same time pointing out the errors that each of the available algorithms introduces into the specific solution. It is a valuable resource for undergraduate students as an introduction to the field and for graduate students wishing to compare the available computational methods. In addition, the work develops the criteria required for students to select the most suitable method to solve the particular scientific problem that they are confronting.
Categories: Science

Computational Methods in Commutative Algebra and Algebraic Geometry

Computational Methods in Commutative Algebra and Algebraic Geometry

From the reviews of the hardcover edition: "... Many parts of the book can be read by anyone with a basic abstract algebra course.

Author: Wolmer Vasconcelos

Publisher: Springer Science & Business Media

ISBN: 3540213112

Category: Mathematics

Page: 408

View: 569

This ACM volume deals with tackling problems that can be represented by data structures which are essentially matrices with polynomial entries, mediated by the disciplines of commutative algebra and algebraic geometry. The discoveries stem from an interdisciplinary branch of research which has been growing steadily over the past decade. The author covers a wide range, from showing how to obtain deep heuristics in a computation of a ring, a module or a morphism, to developing means of solving nonlinear systems of equations - highlighting the use of advanced techniques to bring down the cost of computation. Although intended for advanced students and researchers with interests both in algebra and computation, many parts may be read by anyone with a basic abstract algebra course.
Categories: Mathematics

Spline Functions

Spline Functions

This book describes in detail the key algorithms needed for computing with spline functions and illustrates their use in solving several basic problems in numerical analysis, including function approximation, numerical quadrature, data ...

Author: Larry L. Schumaker

Publisher: SIAM

ISBN: 9781611973891

Category: Science

Page: 425

View: 767

This book describes in detail the key algorithms needed for computing with spline functions and illustrates their use in solving several basic problems in numerical analysis, including function approximation, numerical quadrature, data fitting, and the numerical solution of PDE?s. The focus is on computational methods for bivariate splines on triangulations in the plane and on the sphere, although both univariate and tensor-product splines are also discussed.? The book contains numerous examples and figures to illustrate the methods and their performance. All of the algorithms in the book have been coded in a separate MATLAB? package available for license. The package can be used to run all of the examples in the book and also provides readers with the essential tools needed to create software for their own applications. In addition to the included bibliography, a list of over 100 pages of additional references can be found on the book?s website. ?
Categories: Science

Computational Methods in Finance

Computational Methods in Finance

The first part of the book describes pricing methods for numerous derivatives under a variety of models. The book reviews common processes for modeling assets in different markets.

Author: Ali Hirsa

Publisher: CRC Press

ISBN: 9781439829578

Category: Business & Economics

Page: 444

View: 937

As today’s financial products have become more complex, quantitative analysts, financial engineers, and others in the financial industry now require robust techniques for numerical analysis. Covering advanced quantitative techniques, Computational Methods in Finance explains how to solve complex functional equations through numerical methods. The first part of the book describes pricing methods for numerous derivatives under a variety of models. The book reviews common processes for modeling assets in different markets. It then examines many computational approaches for pricing derivatives. These include transform techniques, such as the fast Fourier transform, the fractional fast Fourier transform, the Fourier-cosine method, and saddlepoint method; the finite difference method for solving PDEs in the diffusion framework and PIDEs in the pure jump framework; and Monte Carlo simulation. The next part focuses on essential steps in real-world derivative pricing. The author discusses how to calibrate model parameters so that model prices are compatible with market prices. He also covers various filtering techniques and their implementations and gives examples of filtering and parameter estimation. Developed from the author’s courses at Columbia University and the Courant Institute of New York University, this self-contained text is designed for graduate students in financial engineering and mathematical finance as well as practitioners in the financial industry. It will help readers accurately price a vast array of derivatives.
Categories: Business & Economics

Computational Methods for Plasticity

Computational Methods for Plasticity

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.

Author: EA de Souza Neto

Publisher: John Wiley & Sons

ISBN: 9780470694527

Category: Science

Page: 814

View: 448

The 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.
Categories: Science

Computational Methods for Drug Repurposing

Computational Methods for Drug Repurposing

This detailed book explores techniques commonly used for research into drug repurposing, a well-known strategy to find alternative indications for drugs which have already undergone toxicology and pharma-kinetic studies but have failed ...

Author: Quentin Vanhaelen

Publisher: Humana Press

ISBN: 1493989545

Category: Medical

Page: 332

View: 676

This detailed book explores techniques commonly used for research into drug repurposing, a well-known strategy to find alternative indications for drugs which have already undergone toxicology and pharma-kinetic studies but have failed later stages during the development, via computational methods. Thereby, it addresses the intense challenges of identifying the appropriate type of algorithm and relevant technical information for computational repurposing. Written for the highly successful Methods in Molecular Biology series, the authors of each chapter use their experience in the field to describe the implementation and successful use of a specific repurposing method thus providing lab-ready instruction. Authoritative and practical, Computational Methods for Drug Repurposing serves as an ideal guide to researchers interested in this vital area of drug development.
Categories: Medical

Computational Methods for Reinforced Concrete Structures

Computational Methods for Reinforced Concrete Structures

The book covers the application of numerical methods to reinforced concrete structures.

Author: Ulrich Häußler-Combe

Publisher: John Wiley & Sons

ISBN: 9783433030547

Category: Technology & Engineering

Page: 354

View: 707

The book covers the application of numerical methods to reinforced concrete structures. To analyze reinforced concrete structures linear elastic theories are inadequate because of cracking, bond and the nonlinear and time dependent behavior of both concrete and reinforcement. These effects have to be considered for a realistic assessment of the behavior of reinforced concrete structures with respect to ultimate limit states and serviceability limit states. The book gives a compact review of finite element and other numerical methods. The key to these methods is through a proper description of material behavior. Thus, the book summarizes the essential material properties of concrete and reinforcement and their interaction through bond. These basics are applied to different structural types such as bars, beams, strut and tie models, plates, slabs and shells. This includes prestressing of structures, cracking, nonlinear stressstrain relations, creeping, shrinkage and temperature changes. Appropriate methods are developed for each structural type. Large displacement and dynamic problems are treated as well as short-term quasi-static problems and long-term transient problems like creep and shrinkage. Most problems are illustrated by examples which are solved by the program package ConFem, based on the freely available Python programming language. The ConFem source code together with the problem data is available under open source rules at concrete-fem.com. The author aims to demonstrate the potential and the limitations of numerical methods for simulation of reinforced concrete structures, addressing students, teachers, researchers and designing and checking engineers.
Categories: Technology & Engineering

Analytical and Computational Methods of Advanced Engineering Mathematics

Analytical and Computational Methods of Advanced Engineering Mathematics

This book focuses on the topics which provide the foundation for practicing engineering mathematics: ordinary differential equations, vector calculus, linear algebra and partial differential equations.

Author: Grant B. Gustafson

Publisher: Springer Science & Business Media

ISBN: 0387982655

Category: Mathematics

Page: 733

View: 794

This book focuses on the topics which provide the foundation for practicing engineering mathematics: ordinary differential equations, vector calculus, linear algebra and partial differential equations. Destined to become the definitive work in the field, the book uses a practical engineering approach based upon solving equations and incorporates computational techniques throughout.
Categories: Mathematics

Mathematical and Computational Methods for Compressible Flow

Mathematical and Computational Methods for Compressible Flow

This book is concerned with mathematical and numerical methods for compressible flow.

Author: Miloslav Feistauer

Publisher: Oxford University Press on Demand

ISBN: 0198505884

Category: Mathematics

Page: 535

View: 561

This book is concerned with mathematical and numerical methods for compressible flow. It aims to provide the reader with a sufficiently detailed and extensive, mathematically precise, but comprehensible guide, through a wide spectrum of mathematical and computational methods used in Computational Fluid Dynamics (CFD) for the numerical simulation of compressible flow. Up-to-date techniques applied in the numerical solution of inviscid as well as viscous compressible flow on unstructured meshes are explained, thus allowing the simulation of complex three-dimensional technically relevant problems. Among some of the methods addressed are finite volume methods using approximate Riemann solvers, finite element techniques, such as the streamline diffusion and the discontinuous Galerkin methods, and combined finite volume - finite element schemes. The book gives a complex insight into the numerics of compressible flow, covering the development of numerical schemes and their theoretical mathematical analysis, their verification on test problems and use in solving practical engineering problems. The book will be helpful to specialists coming into contact with CFD - pure and applied mathematicians, aerodynamists, engineers, physicists and natural scientists. It will also be suitable for advanced undergraduate, graduate and postgraduate students of mathematics and technical sciences.
Categories: Mathematics

Computational Methods in Organometallic Catalysis

Computational Methods in Organometallic Catalysis

The book summarizes and generalizes the advances made in the mechanistic study of organometallic catalysis.

Author: Yu Lan

Publisher: John Wiley & Sons

ISBN: 9783527346011

Category: Science

Page: 672

View: 385

The book includes a historical introduction to organometallic chemistry, a survey of mechanisms, and an extensive introduction to quantum mechanical computational methods.
Categories: Science

Computational Methods for Reliability and Risk Analysis

Computational Methods for Reliability and Risk Analysis

This book illustrates a number of modelling and computational techniques for addressing relevant issues in reliability and risk analysis.

Author: Enrico Zio

Publisher: World Scientific

ISBN: 9789812839015

Category: Technology & Engineering

Page: 340

View: 453

This book illustrates a number of modelling and computational techniques for addressing relevant issues in reliability and risk analysis. In particular, it provides: i) a basic illustration of some methods used in reliability and risk analysis for modelling the stochastic failure and repair behaviour of systems, e.g. the Markov and Monte Carlo simulation methods; ii) an introduction to Genetic Algorithms, tailored to their application for RAMS (Reliability, Availability, Maintainability and Safety) optimization; iii) an introduction to key issues of system reliability and risk analysis, like dependent failures and importance measures; and iv) a presentation of the issue of uncertainty and of the techniques of sensitivity and uncertainty analysis used in support of reliability and risk analysis.The book provides a technical basis for senior undergraduate or graduate courses and a reference for researchers and practitioners in the field of reliability and risk analysis. Several practical examples are included to demonstrate the application of the concepts and techniques in practice.
Categories: Technology & Engineering

Computational Methods in Transport Verification and Validation

Computational Methods in Transport  Verification and Validation

The focus of this book deals with a cross cutting issue affecting all transport disciplines, whether it be photon, neutron, charged particle or neutrino transport. That is, verification and validation.

Author: Frank Graziani

Publisher: Springer

ISBN: 3540773614

Category: Science

Page: 332

View: 281

The focus of this book deals with a cross cutting issue affecting all transport disciplines, whether it be photon, neutron, charged particle or neutrino transport. That is, verification and validation. In this book, we learn what the astrophysicist, atmospheric scientist, mathematician or nuclear engineer do to assess the accuracy of their code. What convergence studies, what error analysis, what problems do each field use to ascertain the accuracy of their transport simulations.
Categories: Science

Computational Methods and Production Engineering

Computational Methods and Production Engineering

As computational methods currently have several applications, including modeling manufacturing processes, monitoring and control, parameters optimization and computer-aided process planning, this book is an ideal resource for practitioners.

Author: J Paulo Davim

Publisher: Woodhead Publishing

ISBN: 9780857094827

Category: Business & Economics

Page: 242

View: 510

Computational Methods and Production Engineering: Research and Development is an original book publishing refereed, high quality articles with a special emphasis on research and development in production engineering and production organization for modern industry. Innovation and the relationship between computational methods and production engineering are presented. Contents include: Finite Element method (FEM) modeling/simulation; Artificial neural networks (ANNs); Genetic algorithms; Evolutionary computation; Fuzzy logic; neuro-fuzzy systems; Particle swarm optimization (PSO); Tabu search and simulation annealing; and optimization techniques for complex systems. As computational methods currently have several applications, including modeling manufacturing processes, monitoring and control, parameters optimization and computer-aided process planning, this book is an ideal resource for practitioners. Presents cutting-edge computational methods for production engineering Explores the relationship between applied computational methods and production engineering Presents new innovations in the field Edited by a key researcher in the field
Categories: Business & Economics

Computational Methods for Linear Integral Equations

Computational Methods for Linear Integral Equations

This book presents numerical methods and computational aspects for linear integral equations.

Author: Prem Kythe

Publisher: Springer Science & Business Media

ISBN: 0817641920

Category: Mathematics

Page: 508

View: 584

This book presents numerical methods and computational aspects for linear integral equations. Such equations occur in various areas of applied mathematics, physics, and engineering. The material covered in this book, though not exhaustive, offers useful techniques for solving a variety of problems. Historical information cover ing the nineteenth and twentieth centuries is available in fragments in Kantorovich and Krylov (1958), Anselone (1964), Mikhlin (1967), Lonseth (1977), Atkinson (1976), Baker (1978), Kondo (1991), and Brunner (1997). Integral equations are encountered in a variety of applications in many fields including continuum mechanics, potential theory, geophysics, electricity and mag netism, kinetic theory of gases, hereditary phenomena in physics and biology, renewal theory, quantum mechanics, radiation, optimization, optimal control sys tems, communication theory, mathematical economics, population genetics, queue ing theory, and medicine. Most of the boundary value problems involving differ ential equations can be converted into problems in integral equations, but there are certain problems which can be formulated only in terms of integral equations. A computational approach to the solution of integral equations is, therefore, an essential branch of scientific inquiry.
Categories: Mathematics

Computational Methods in Biophysics Biomaterials Biotechnology and Medical Systems

Computational Methods in Biophysics  Biomaterials  Biotechnology and Medical Systems

Covers algorithm techniques; computational methods; mathematical analysis methods; and diagnostic methods.

Author: Cornelius T. Leondes

Publisher: Springer Science & Business Media

ISBN: 9781402071102

Category: Mathematics

Page: 1461

View: 959

Covers algorithm techniques; computational methods; mathematical analysis methods; and diagnostic methods.
Categories: Mathematics

Computational Methods in Circuit Simulation

Computational Methods in Circuit Simulation

COMPUTATIONAL METHODS IN CIRCUIT SIMULATION INCUDES THEORY, NUMERICAL TECHNIQUES, AND RECIPES ON HOW TO BUILD A SIMULATOR FOR THE ANALYSIS OF VERY LARGE CIRCUITS WITH COMPLEX DEVICE AND COMPONENT MODELS This book provides theoretical basis ...

Author: Ibrahim N. Hajj

Publisher:

ISBN: 1537729888

Category:

Page: 414

View: 119

COMPUTATIONAL METHODS IN CIRCUIT SIMULATION INCUDES THEORY, NUMERICAL TECHNIQUES, AND RECIPES ON HOW TO BUILD A SIMULATOR FOR THE ANALYSIS OF VERY LARGE CIRCUITS WITH COMPLEX DEVICE AND COMPONENT MODELSThis book provides theoretical basis of circuit simulation with special emphasis on the simulation of very large circuits and systems. The results are presented in algorithmic form and recipes that can be easily translated into computer code. The book:* Explains the theoretical basis of circuit formulation and describes the Extended Nodal Analysis, which is a generalization of the traditional nodal and modified nodal analysis that allows the inclusion of complex device models.* Describes how to build the circuit equations from the input netlist using the stamp approach.* Presents the solution of large linear equations using sparse matrix techniques, partitioning, iterative and projection methods.* Covers DC solution or the solution of nonlinear algebraic equations, including variations of Newton method and piecewise-linear techniques.* Covers transient analysis or solution of algebraic-differential equations, including integration formulas, stability, error estimation and step-size control.* Explains reduced-order modeling for the simulation of very large dynamic circuits and systems.* Includes sensitivity analysis.
Categories:

Computational Methods for Large Sparse Power Systems Analysis

Computational Methods for Large Sparse Power Systems Analysis

Motivational examples and illustrations are included throughout the book. A library of C++ classes provided along with this book has classes for transmission lines, transformers, substation etc. A CD-ROM with C++ programs is also included.

Author: Shreevardhan Arunchandra Soman

Publisher: Springer

ISBN: 1461352568

Category: Technology & Engineering

Page: 335

View: 463

Computational methods in Power Systems require significant inputs from diverse disciplines, such as data base structures, numerical analysis etc. Strategic decisions in sparsity exploitation and algorithm design influence large-scale simulation and high-speed computations. Selection of programming paradigm shapes the design, its modularity and reusability. This has a far reaching effect on software maintenance. Computational Methods for Large Sparse Power Systems Analysis: An Object Oriented Approach provides a unified object oriented (OO) treatment for power system analysis. Sparsity exploitation techniques in OO paradigm are emphasized to facilitate large scale and fast computing. Specific applications like large-scale load flow, short circuit analysis, state estimation and optimal power flow are discussed within this framework. A chapter on modeling and computational issues in power system dynamics is also included. Motivational examples and illustrations are included throughout the book. A library of C++ classes provided along with this book has classes for transmission lines, transformers, substation etc. A CD-ROM with C++ programs is also included. It contains load flow, short circuit analysis and network topology processor applications. Power system data is provided and systems up to 150 buses can be studied. Other Special Features: This book is the first of its kind, covering power system applications designed with an OO perspective. Chapters on object orientation for modeling of power system computations, data structure, large sparse linear system solver, sparse QR decomposition in an OO framework are special features of this book.
Categories: Technology & Engineering

Computational Methods in Earthquake Engineering

Computational Methods in Earthquake Engineering

In: Proceedings of 4th ECCOMAS thematic conference on computational methods in structural dynamics and earthquake engineering (COMPDYN 2013), Kos Island, ...

Author: Manolis Papadrakakis

Publisher: Springer

ISBN: 9783319477985

Category: Technology & Engineering

Page: 418

View: 126

This is the third book in a series on Computational Methods in Earthquake Engineering. The purpose of this volume is to bring together the scientific communities of Computational Mechanics and Structural Dynamics, offering a wide coverage of timely issues on contemporary Earthquake Engineering. This volume will facilitate the exchange of ideas in topics of mutual interest and can serve as a platform for establishing links between research groups with complementary activities. The computational aspects are emphasized in order to address difficult engineering problems of great social and economic importance.
Categories: Technology & Engineering

Computational Methods in Genome Research

Computational Methods in Genome Research

Library of Congress Catalog ing-in-Publication Data International Symposium on Computational Methods in Genome Research (1992 : He idelberg, ...

Author: Sándor Suhai

Publisher: Springer Science & Business Media

ISBN: 9781461524519

Category: Science

Page: 227

View: 753

The application of computational methods to solve scientific and pratical problems in genome research created a new interdisciplinary area that transcends boundaries traditionally separating genetics, biology, mathematics, physics, and computer science. Computers have been, of course, intensively used for many year~ in the field of life sciences, even before genome research started, to store and analyze DNA or proteins sequences, to explore and model the three-dimensional structure, the dynamics and the function of biopolymers, to compute genetic linkage or evolutionary processes etc. The rapid development of new molecular and genetic technologies, combined with ambitious goals to explore the structure and function of genomes of higher organisms, has generated, however, not only a huge and burgeoning body of data but also a new class of scientific questions. The nature and complexity of these questions will require, beyond establishing a new kind of alliance between experimental and theoretical disciplines, also the development of new generations both in computer software and hardware technologies, respectively. New theoretical procedures, combined with powerful computational facilities, will substantially extend the horizon of problems that genome research can ·attack with success. Many of us still feel that computational models rationalizing experimental findings in genome research fulfil their promises more slowly than desired. There also is an uncertainity concerning the real position of a 'theoretical genome research' in the network of established disciplines integrating their efforts in this field.
Categories: Science