Author: Alexander Mielke
Publisher: Springer Science & Business Media
ISBN: 3540356576
Category : Mathematics
Languages : en
Pages : 704
Book Description
This book reports recent mathematical developments in the Programme "Analysis, Modeling and Simulation of Multiscale Problems", which started as a German research initiative in 2006. Multiscale problems occur in many fields of science, such as microstructures in materials, sharp-interface models, many-particle systems and motions on different spatial and temporal scales in quantum mechanics or in molecular dynamics. The book presents current mathematical foundations of modeling, and proposes efficient numerical treatment.
Analysis, Modeling and Simulation of Multiscale Problems
Author: Alexander Mielke
Publisher: Springer Science & Business Media
ISBN: 3540356576
Category : Mathematics
Languages : en
Pages : 704
Book Description
This book reports recent mathematical developments in the Programme "Analysis, Modeling and Simulation of Multiscale Problems", which started as a German research initiative in 2006. Multiscale problems occur in many fields of science, such as microstructures in materials, sharp-interface models, many-particle systems and motions on different spatial and temporal scales in quantum mechanics or in molecular dynamics. The book presents current mathematical foundations of modeling, and proposes efficient numerical treatment.
Publisher: Springer Science & Business Media
ISBN: 3540356576
Category : Mathematics
Languages : en
Pages : 704
Book Description
This book reports recent mathematical developments in the Programme "Analysis, Modeling and Simulation of Multiscale Problems", which started as a German research initiative in 2006. Multiscale problems occur in many fields of science, such as microstructures in materials, sharp-interface models, many-particle systems and motions on different spatial and temporal scales in quantum mechanics or in molecular dynamics. The book presents current mathematical foundations of modeling, and proposes efficient numerical treatment.
Progress in Physical Chemistry Volume 3
Author: Franz Michael Dolg
Publisher: Oldenbourg Verlag
ISBN: 3486711636
Category : Science
Languages : en
Pages : 431
Book Description
Progress in Physical Chemistry is a collection of recent »Review Articles« published in the »Zeitschrift für Physikalische Chemie«. The third volume of the series "Progress in Physical Chemistry" comprises 27 articles, most of them with review character, written by the members of the Priority Program (SPP) 1145 of the German Research Foundation (DFG).
Publisher: Oldenbourg Verlag
ISBN: 3486711636
Category : Science
Languages : en
Pages : 431
Book Description
Progress in Physical Chemistry is a collection of recent »Review Articles« published in the »Zeitschrift für Physikalische Chemie«. The third volume of the series "Progress in Physical Chemistry" comprises 27 articles, most of them with review character, written by the members of the Priority Program (SPP) 1145 of the German Research Foundation (DFG).
Matrix Methods
Author: Vadim Olshevsky
Publisher: World Scientific
ISBN: 9812836020
Category : Mathematics
Languages : en
Pages : 604
Book Description
Operators preserving primitivity for matrix pairs / L.B. Beasley, A.E. Guterman -- Decompositions of quaternions and their matrix equivalents / D. Janovská, G. Opfer -- Sensitivity analysis of Hamiltonian and reversible systems prone to dissipation-induced instabilities / O.N. Kirillov -- Block triangular miniversal deformations of matrices and matrix pencils / L. Klimenko, V.V. Sergeichuk -- Determining the Schein rank of boolean matrices / E.E. Marenich -- Lattices of matrix rows and matrix columns. Lattices of invariant column eigenvectors / V. Marenich -- Matrix algebras and their length / O.V. Markova -- On a new class of singular nonsymmetric matrices with nonnegative integer spectra / T. Nahtman, D. von Rosen -- Reduction of a set of matrices over a principal ideal domain to the Smith normal forms by means of the same one-sided transformation / V.M. Prokip -- Nonsymmetric algebraic Riccati equations associated with an M-matrix : recent advances and algorithms / D.A. Bini, B. Iannazzo, B. Meini, F. Poloni -- A generalized conjugate direction method for nonsymmetric large ill-conditioned linear systems / E.R. Boudinov, A.I. Manevich -- There exist normal Hankel ([symbol], [symbol])-circulants of any order [symbol] / V.N. Chugunov, Kh. D. Ikramov -- On the treatment of boundary artifacts in image restoration by reflection and/or anti-reflection / M. Donatelli, S. Serra-Capizzano -- Zeros of determinants of [symbol]-matrices / W. Gander -- How to find a good submatrix / S.A. Goreinov [und weiteren] -- Conjugate and semi-conjugate direction methods with preconditioning projectors / V.P. Il'in -- Some relationships between optimal preconditioner and superoptimal preconditioner / J.-B. Chen [und weiteren] -- Scaling, preconditioning, and superlinear convergence in GMRES-type iterations / I. Kaporin -- Toeplitz and Toeplitz-block-Toeplitz matrices and their correlation with syzygies of polynomials / H. Khalil, B. Mourrain, M. Schatzman -- Concepts of data-sparse tensor-product approximation in many-particle modelling / H.-J. Flad [und weiteren] -- Separation of variables in nonlinear fermi equation / Yu. I. Kuznetsov -- Faster multipoint polynomial evaluation via structured matrices / B. Murphy, R.E. Rosholt -- Testing pivoting policies in Gaussian elimination / B. Murphy [und weiteren] -- Newton's iteration for matrix inversion, advances and extensions / V.Y. Pan -- Truncated decompositions and filtering methods with reflective/antireflective boundary conditions : a comparison / C. Tablino Possio -- Discrete-time stability of a class of hermitian polynomial matrices with positive semidefinite coefficients / H.K. Wimmer -- Splitting algorithm for solving mixed variational inequalities with inversely strongly monotone operators / I. Badriev, O. Zadvornov -- Multilevel algorithm for graph partitioning / N.S. Bochkarev, O.V. Diyankov, V.Y. Pravilnikov -- 2D-extension of singular spectrum analysis : algorithm and elements of theory / N.E. Golyandina, K.D. Usevich -- Application of radon transform for fast solution of boundary value problems for elliptic PDE in domains with complicated geometry / A.I. Grebennikov -- Application of a multigrid method to solving diffusion-type equations / M.E. Ladonkina, O. Yu. Milukova, V.F. Tishkin -- Monotone matrices and finite volume schemes for diffusion problems preserving non-negativity of solution / I.V. Kapyrin -- Sparse approximation of FEM matrix for sheet current integro-differential equation / M. Khapaev, M. Yu. Kupriyanov -- The method of magnetic field computation in presence of an ideal conductive multiconnected surface by using the integro-differential equation of the first kind / T. Kochubey, V.I. Astakhov -- Spectral model order reduction preserving passivity for large multiport RCLM networks / Yu. M. Nechepurenko, A.S. Potyagalova, I.A. Karaseva -- New smoothers in multigrid methods for strongly nonsymmetric linear systems / G.V. Muratova, E.M. Andreeva -- Operator equations for eddy currents on singular carriers / J. Naumenko -- Matrix approach to modelling of polarized radiation transfer in heterogeneous systems / T.A. Sushkevich, S.A. Strelkov, S.V. Maksakova -- The Method of Regularization of Tikhonov Based on Augmented Systems / A.I. Zhdanov, T.G. Parchaikina
Publisher: World Scientific
ISBN: 9812836020
Category : Mathematics
Languages : en
Pages : 604
Book Description
Operators preserving primitivity for matrix pairs / L.B. Beasley, A.E. Guterman -- Decompositions of quaternions and their matrix equivalents / D. Janovská, G. Opfer -- Sensitivity analysis of Hamiltonian and reversible systems prone to dissipation-induced instabilities / O.N. Kirillov -- Block triangular miniversal deformations of matrices and matrix pencils / L. Klimenko, V.V. Sergeichuk -- Determining the Schein rank of boolean matrices / E.E. Marenich -- Lattices of matrix rows and matrix columns. Lattices of invariant column eigenvectors / V. Marenich -- Matrix algebras and their length / O.V. Markova -- On a new class of singular nonsymmetric matrices with nonnegative integer spectra / T. Nahtman, D. von Rosen -- Reduction of a set of matrices over a principal ideal domain to the Smith normal forms by means of the same one-sided transformation / V.M. Prokip -- Nonsymmetric algebraic Riccati equations associated with an M-matrix : recent advances and algorithms / D.A. Bini, B. Iannazzo, B. Meini, F. Poloni -- A generalized conjugate direction method for nonsymmetric large ill-conditioned linear systems / E.R. Boudinov, A.I. Manevich -- There exist normal Hankel ([symbol], [symbol])-circulants of any order [symbol] / V.N. Chugunov, Kh. D. Ikramov -- On the treatment of boundary artifacts in image restoration by reflection and/or anti-reflection / M. Donatelli, S. Serra-Capizzano -- Zeros of determinants of [symbol]-matrices / W. Gander -- How to find a good submatrix / S.A. Goreinov [und weiteren] -- Conjugate and semi-conjugate direction methods with preconditioning projectors / V.P. Il'in -- Some relationships between optimal preconditioner and superoptimal preconditioner / J.-B. Chen [und weiteren] -- Scaling, preconditioning, and superlinear convergence in GMRES-type iterations / I. Kaporin -- Toeplitz and Toeplitz-block-Toeplitz matrices and their correlation with syzygies of polynomials / H. Khalil, B. Mourrain, M. Schatzman -- Concepts of data-sparse tensor-product approximation in many-particle modelling / H.-J. Flad [und weiteren] -- Separation of variables in nonlinear fermi equation / Yu. I. Kuznetsov -- Faster multipoint polynomial evaluation via structured matrices / B. Murphy, R.E. Rosholt -- Testing pivoting policies in Gaussian elimination / B. Murphy [und weiteren] -- Newton's iteration for matrix inversion, advances and extensions / V.Y. Pan -- Truncated decompositions and filtering methods with reflective/antireflective boundary conditions : a comparison / C. Tablino Possio -- Discrete-time stability of a class of hermitian polynomial matrices with positive semidefinite coefficients / H.K. Wimmer -- Splitting algorithm for solving mixed variational inequalities with inversely strongly monotone operators / I. Badriev, O. Zadvornov -- Multilevel algorithm for graph partitioning / N.S. Bochkarev, O.V. Diyankov, V.Y. Pravilnikov -- 2D-extension of singular spectrum analysis : algorithm and elements of theory / N.E. Golyandina, K.D. Usevich -- Application of radon transform for fast solution of boundary value problems for elliptic PDE in domains with complicated geometry / A.I. Grebennikov -- Application of a multigrid method to solving diffusion-type equations / M.E. Ladonkina, O. Yu. Milukova, V.F. Tishkin -- Monotone matrices and finite volume schemes for diffusion problems preserving non-negativity of solution / I.V. Kapyrin -- Sparse approximation of FEM matrix for sheet current integro-differential equation / M. Khapaev, M. Yu. Kupriyanov -- The method of magnetic field computation in presence of an ideal conductive multiconnected surface by using the integro-differential equation of the first kind / T. Kochubey, V.I. Astakhov -- Spectral model order reduction preserving passivity for large multiport RCLM networks / Yu. M. Nechepurenko, A.S. Potyagalova, I.A. Karaseva -- New smoothers in multigrid methods for strongly nonsymmetric linear systems / G.V. Muratova, E.M. Andreeva -- Operator equations for eddy currents on singular carriers / J. Naumenko -- Matrix approach to modelling of polarized radiation transfer in heterogeneous systems / T.A. Sushkevich, S.A. Strelkov, S.V. Maksakova -- The Method of Regularization of Tikhonov Based on Augmented Systems / A.I. Zhdanov, T.G. Parchaikina
Numerical Analysis of Multiscale Computations
Author: Björn Engquist
Publisher: Springer Science & Business Media
ISBN: 3642219438
Category : Computers
Languages : en
Pages : 432
Book Description
This book is a snapshot of current research in multiscale modeling, computations and applications. It covers fundamental mathematical theory, numerical algorithms as well as practical computational advice for analysing single and multiphysics models containing a variety of scales in time and space. Complex fluids, porous media flow and oscillatory dynamical systems are treated in some extra depth, as well as tools like analytical and numerical homogenization, and fast multipole method.
Publisher: Springer Science & Business Media
ISBN: 3642219438
Category : Computers
Languages : en
Pages : 432
Book Description
This book is a snapshot of current research in multiscale modeling, computations and applications. It covers fundamental mathematical theory, numerical algorithms as well as practical computational advice for analysing single and multiphysics models containing a variety of scales in time and space. Complex fluids, porous media flow and oscillatory dynamical systems are treated in some extra depth, as well as tools like analytical and numerical homogenization, and fast multipole method.
Tensor Numerical Methods in Quantum Chemistry
Author: Venera Khoromskaia
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110365839
Category : Mathematics
Languages : en
Pages : 298
Book Description
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.
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110365839
Category : Mathematics
Languages : en
Pages : 298
Book Description
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.
Multiscale and Multiresolution Methods
Author: Timothy J. Barth
Publisher: Springer Science & Business Media
ISBN: 3642562051
Category : Mathematics
Languages : en
Pages : 396
Book Description
Many computionally challenging problems omnipresent in science and engineering exhibit multiscale phenomena so that the task of computing or even representing all scales of action is computationally very expensive unless the multiscale nature of these problems is exploited in a fundamental way. Some diverse examples of practical interest include the computation of fluid turbulence, structural analysis of composite materials, terabyte data mining, image processing, and a multitude of others. This book consists of both invited and contributed articles which address many facets of efficient multiscale representation and scientific computation from varied viewpoints such as hierarchical data representations, multilevel algorithms, algebraic homogeni- zation, and others. This book should be of particular interest to readers interested in recent and emerging trends in multiscale and multiresolution computation with application to a wide range of practical problems.
Publisher: Springer Science & Business Media
ISBN: 3642562051
Category : Mathematics
Languages : en
Pages : 396
Book Description
Many computionally challenging problems omnipresent in science and engineering exhibit multiscale phenomena so that the task of computing or even representing all scales of action is computationally very expensive unless the multiscale nature of these problems is exploited in a fundamental way. Some diverse examples of practical interest include the computation of fluid turbulence, structural analysis of composite materials, terabyte data mining, image processing, and a multitude of others. This book consists of both invited and contributed articles which address many facets of efficient multiscale representation and scientific computation from varied viewpoints such as hierarchical data representations, multilevel algorithms, algebraic homogeni- zation, and others. This book should be of particular interest to readers interested in recent and emerging trends in multiscale and multiresolution computation with application to a wide range of practical problems.
High-Performance Tensor Computations in Scientific Computing and Data Science
Author: Edoardo Angelo Di Napoli
Publisher: Frontiers Media SA
ISBN: 2832504256
Category : Science
Languages : en
Pages : 192
Book Description
Publisher: Frontiers Media SA
ISBN: 2832504256
Category : Science
Languages : en
Pages : 192
Book Description
Progress in Industrial Mathematics at ECMI 2010
Author: Michael Günther
Publisher: Springer Science & Business Media
ISBN: 3642251005
Category : Mathematics
Languages : en
Pages : 613
Book Description
ECMI, the European Consortium for Mathematics in Industry, is the European brand associated with applied mathematics for industry and organizes highly successful biannual conferences. In this series, the ECMI 2010, the 16th European Conference on Mathematics for Industry, was held in the historic city hall of Wuppertal in Germany. It covered the mathematics of a wide range of applications and methods, from circuit and electromagnetic device simulation to model order reduction for chip design, uncertainties and stochastics, production, fluids, life and environmental sciences, and dedicated and versatile methods. These proceedings of ECMI 2010 emphasize mathematics as an innovation enabler for industry and business, and as an absolutely essential pre-requiste for Europe on its way to becoming the leading knowledge-based economy in the world.
Publisher: Springer Science & Business Media
ISBN: 3642251005
Category : Mathematics
Languages : en
Pages : 613
Book Description
ECMI, the European Consortium for Mathematics in Industry, is the European brand associated with applied mathematics for industry and organizes highly successful biannual conferences. In this series, the ECMI 2010, the 16th European Conference on Mathematics for Industry, was held in the historic city hall of Wuppertal in Germany. It covered the mathematics of a wide range of applications and methods, from circuit and electromagnetic device simulation to model order reduction for chip design, uncertainties and stochastics, production, fluids, life and environmental sciences, and dedicated and versatile methods. These proceedings of ECMI 2010 emphasize mathematics as an innovation enabler for industry and business, and as an absolutely essential pre-requiste for Europe on its way to becoming the leading knowledge-based economy in the world.
Lectures on the Mathematics of Quantum Mechanics II: Selected Topics
Author: Gianfausto Dell'Antonio
Publisher: Springer
ISBN: 9462391157
Category : Science
Languages : en
Pages : 389
Book Description
The first volume (General Theory) differs from most textbooks as it emphasizes the mathematical structure and mathematical rigor, while being adapted to the teaching the first semester of an advanced course in Quantum Mechanics (the content of the book are the lectures of courses actually delivered.). It differs also from the very few texts in Quantum Mechanics that give emphasis to the mathematical aspects because this book, being written as Lecture Notes, has the structure of lectures delivered in a course, namely introduction of the problem, outline of the relevant points, mathematical tools needed, theorems, proofs. This makes this book particularly useful for self-study and for instructors in the preparation of a second course in Quantum Mechanics (after a first basic course). With some minor additions it can be used also as a basis of a first course in Quantum Mechanics for students in mathematics curricula. The second part (Selected Topics) are lecture notes of a more advanced course aimed at giving the basic notions necessary to do research in several areas of mathematical physics connected with quantum mechanics, from solid state to singular interactions, many body theory, semi-classical analysis, quantum statistical mechanics. The structure of this book is suitable for a second-semester course, in which the lectures are meant to provide, in addition to theorems and proofs, an overview of a more specific subject and hints to the direction of research. In this respect and for the width of subjects this second volume differs from other monographs on Quantum Mechanics. The second volume can be useful for students who want to have a basic preparation for doing research and for instructors who may want to use it as a basis for the presentation of selected topics.
Publisher: Springer
ISBN: 9462391157
Category : Science
Languages : en
Pages : 389
Book Description
The first volume (General Theory) differs from most textbooks as it emphasizes the mathematical structure and mathematical rigor, while being adapted to the teaching the first semester of an advanced course in Quantum Mechanics (the content of the book are the lectures of courses actually delivered.). It differs also from the very few texts in Quantum Mechanics that give emphasis to the mathematical aspects because this book, being written as Lecture Notes, has the structure of lectures delivered in a course, namely introduction of the problem, outline of the relevant points, mathematical tools needed, theorems, proofs. This makes this book particularly useful for self-study and for instructors in the preparation of a second course in Quantum Mechanics (after a first basic course). With some minor additions it can be used also as a basis of a first course in Quantum Mechanics for students in mathematics curricula. The second part (Selected Topics) are lecture notes of a more advanced course aimed at giving the basic notions necessary to do research in several areas of mathematical physics connected with quantum mechanics, from solid state to singular interactions, many body theory, semi-classical analysis, quantum statistical mechanics. The structure of this book is suitable for a second-semester course, in which the lectures are meant to provide, in addition to theorems and proofs, an overview of a more specific subject and hints to the direction of research. In this respect and for the width of subjects this second volume differs from other monographs on Quantum Mechanics. The second volume can be useful for students who want to have a basic preparation for doing research and for instructors who may want to use it as a basis for the presentation of selected topics.
Density Functional Theory
Author: Eric Cancès
Publisher: Springer Nature
ISBN: 3031223403
Category : Mathematics
Languages : en
Pages : 595
Book Description
Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics, and materials science.Quantum mechanics describes a system of N interacting particles in the physical 3-dimensional space by a partial differential equation in 3N spatial variables. The standard numerical methods thus incur an exponential increase of computational effort with N, a phenomenon known as the curse of dimensionality; in practice these methods already fail beyond N=2. DFT overcomes this problem by 1) reformulating the N-body problem involving functions of 3N variables in terms of the density, a function of 3 variables, 2) approximating it by a pioneering hybrid approach which keeps important ab initio contributions and re-models the remainder in a data-driven way. This book intends to be an accessible, yet state-of-art text on DFT for graduate students and researchers in applied and computational mathematics, physics, chemistry, and materials science. It introduces and reviews the main models of DFT, covering their derivation and mathematical properties, numerical treatment, and applications.
Publisher: Springer Nature
ISBN: 3031223403
Category : Mathematics
Languages : en
Pages : 595
Book Description
Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics, and materials science.Quantum mechanics describes a system of N interacting particles in the physical 3-dimensional space by a partial differential equation in 3N spatial variables. The standard numerical methods thus incur an exponential increase of computational effort with N, a phenomenon known as the curse of dimensionality; in practice these methods already fail beyond N=2. DFT overcomes this problem by 1) reformulating the N-body problem involving functions of 3N variables in terms of the density, a function of 3 variables, 2) approximating it by a pioneering hybrid approach which keeps important ab initio contributions and re-models the remainder in a data-driven way. This book intends to be an accessible, yet state-of-art text on DFT for graduate students and researchers in applied and computational mathematics, physics, chemistry, and materials science. It introduces and reviews the main models of DFT, covering their derivation and mathematical properties, numerical treatment, and applications.