Tensor Numerical Methods In Scientific Computing

Download or read book Tensor Numerical Methods in Scientific Computing written by Boris N. Khoromskij and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-06-11 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt: The most difficult computational problems nowadays are those of higher dimensions. This research monograph offers an introduction to tensor numerical methods designed for the solution of the multidimensional problems in scientific computing. These methods are based on the rank-structured approximation of multivariate functions and operators by using the appropriate tensor formats. The old and new rank-structured tensor formats are investigated. We discuss in detail the novel quantized tensor approximation method (QTT) which provides function-operator calculus in higher dimensions in logarithmic complexity rendering super-fast convolution, FFT and wavelet transforms. This book suggests the constructive recipes and computational schemes for a number of real life problems described by the multidimensional partial differential equations. We present the theory and algorithms for the sinc-based separable approximation of the analytic radial basis functions including Green’s and Helmholtz kernels. The efficient tensor-based techniques for computational problems in electronic structure calculations and for the grid-based evaluation of long-range interaction potentials in multi-particle systems are considered. We also discuss the QTT numerical approach in many-particle dynamics, tensor techniques for stochastic/parametric PDEs as well as for the solution and homogenization of the elliptic equations with highly-oscillating coefficients. Contents Theory on separable approximation of multivariate functions Multilinear algebra and nonlinear tensor approximation Superfast computations via quantized tensor approximation Tensor approach to multidimensional integrodifferential equations

Download or read book Tensor Numerical Methods in Quantum Chemistry written by Venera Khoromskaia and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-06-11 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: The conventional numerical methods when applied to multidimensional problems suffer from the so-called "curse of dimensionality", that cannot be eliminated by using parallel architectures and high performance computing. The novel tensor numerical methods are based on a "smart" rank-structured tensor representation of the multivariate functions and operators discretized on Cartesian grids thus reducing solution of the multidimensional integral-differential equations to 1D calculations. We explain basic tensor formats and algorithms and show how the orthogonal Tucker tensor decomposition originating from chemometrics made a revolution in numerical analysis, relying on rigorous results from approximation theory. Benefits of tensor approach are demonstrated in ab-initio electronic structure calculations. Computation of the 3D convolution integrals for functions with multiple singularities is replaced by a sequence of 1D operations, thus enabling accurate MATLAB calculations on a laptop using 3D uniform tensor grids of the size up to 1015. Fast tensor-based Hartree-Fock solver, incorporating the grid-based low-rank factorization of the two-electron integrals, serves as a prerequisite for economical calculation of the excitation energies of molecules. Tensor approach suggests efficient grid-based numerical treatment of the long-range electrostatic potentials on large 3D finite lattices with defects.The novel range-separated tensor format applies to interaction potentials of multi-particle systems of general type opening the new prospects for tensor methods in scientific computing. This research monograph presenting the modern tensor techniques applied to problems in quantum chemistry may be interesting for a wide audience of students and scientists working in computational chemistry, material science and scientific computing.

Download or read book High-Performance Tensor Computations in Scientific Computing and Data Science written by Edoardo Angelo Di Napoli and published by Frontiers Media SA. This book was released on 2022-11-08 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Numerical Methods in Matrix Computations written by Åke Björck and published by Springer. This book was released on 2014-10-07 with total page 812 pages. Available in PDF, EPUB and Kindle. Book excerpt: Matrix algorithms are at the core of scientific computing and are indispensable tools in most applications in engineering. This book offers a comprehensive and up-to-date treatment of modern methods in matrix computation. It uses a unified approach to direct and iterative methods for linear systems, least squares and eigenvalue problems. A thorough analysis of the stability, accuracy, and complexity of the treated methods is given. Numerical Methods in Matrix Computations is suitable for use in courses on scientific computing and applied technical areas at advanced undergraduate and graduate level. A large bibliography is provided, which includes both historical and review papers as well as recent research papers. This makes the book useful also as a reference and guide to further study and research work.

Download or read book Numerical Methods in Scientific Computing written by Germund Dahlquist and published by SIAM. This book was released on 2008-01-01 with total page 742 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new book from the authors of the classic book Numerical methods addresses the increasingly important role of numerical methods in science and engineering. More cohesive and comprehensive than any other modern textbook in the field, it combines traditional and well-developed topics with other material that is rarely found in numerical analysis texts, such as interval arithmetic, elementary functions, operator series, convergence acceleration, and continued fractions. Although this volume is self-contained, more comprehensive treatments of matrix computations will be given in a forthcoming volume. A supplementary Website contains three appendices: an introduction to matrix computations; a description of Mulprec, a MATLAB multiple precision package; and a guide to literature, algorithms, and software in numerical analysis. Review questions, problems, and computer exercises are also included. For use in an introductory graduate course in numerical analysis and for researchers who use numerical methods in science and engineering.

Download or read book Python Programming and Numerical Methods written by Qingkai Kong and published by Academic Press. This book was released on 2020-11-27 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: Python Programming and Numerical Methods: A Guide for Engineers and Scientists introduces programming tools and numerical methods to engineering and science students, with the goal of helping the students to develop good computational problem-solving techniques through the use of numerical methods and the Python programming language. Part One introduces fundamental programming concepts, using simple examples to put new concepts quickly into practice. Part Two covers the fundamentals of algorithms and numerical analysis at a level that allows students to quickly apply results in practical settings. - Includes tips, warnings and "try this" features within each chapter to help the reader develop good programming practice - Summaries at the end of each chapter allow for quick access to important information - Includes code in Jupyter notebook format that can be directly run online

Download or read book Introduction to Scientific Computing and Data Analysis written by Mark H. Holmes and published by Springer Nature. This book was released on 2023-07-11 with total page 563 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook provides an introduction to numerical computing and its applications in science and engineering. The topics covered include those usually found in an introductory course, as well as those that arise in data analysis. This includes optimization and regression-based methods using a singular value decomposition. The emphasis is on problem solving, and there are numerous exercises throughout the text concerning applications in engineering and science. The essential role of the mathematical theory underlying the methods is also considered, both for understanding how the method works, as well as how the error in the computation depends on the method being used. The codes used for most of the computational examples in the text are available on GitHub. This new edition includes material necessary for an upper division course in computational linear algebra.