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From Quantum to Classical Molecular Dynamics
Quantum dynamics of molecules poses a variety of computational challenges that are presently at the forefront of research efforts in numerical analysis in a number of application areas: high-dimensional partial differential equations, multiple scales, highly oscillatory solutions, and geometric structures such as symplecticity and reversibility that are favourably preserved in discretizations. This text addresses such problems in quantum mechanics from the viewpoint of numerical analysis, illustrating them to a large extent on intermediate models between the Schrodinger equation of full many-body quantum dynamics and the Newtonian equations of classical molecular dynamics. The fruitful interplay between quantum dynamics and numerical analysis is emphasized.
The Numerical Solution of Differential-Algebraic Systems by Runge-Kutta Methods
The term differential-algebraic equation was coined to comprise differential equations with constraints (differential equations on manifolds) and singular implicit differential equations. Such problems arise in a variety of applications, e.g. constrained mechanical systems, fluid dynamics, chemical reaction kinetics, simulation of electrical networks, and control engineering. From a more theoretical viewpoint, the study of differential-algebraic problems gives insight into the behaviour of numerical methods for stiff ordinary differential equations. These lecture notes provide a self-contained and comprehensive treatment of the numerical solution of differential-algebraic systems using Runge-Kutta methods, and also extrapolation methods. Readers are expected to have a background in the numerical treatment of ordinary differential equations. The subject is treated in its various aspects ranging from the theory through the analysis to implementation and applications.
Dynamics of Algorithms
The articles collected in this volume represent the contributions presented at the IMA workshop on "Dynamics of Algorithms" which took place in November 1997. The workshop was an integral part of the 1997 -98 IMA program on "Emerging Applications of Dynamical Systems." The interaction between algorithms and dynamical systems is mutually beneficial since dynamical methods can be used to study algorithms that are applied repeatedly. Convergence, asymptotic rates are indeed dynamical properties. On the other hand, the study of dynamical systems benefits enormously from having efficient algorithms to compute dynamical objects.
Ergodic Theory, Analysis, and Efficient Simulation of Dynamical Systems
Presenting very recent results in a major research area, this book is addressed to experts and non-experts in the mathematical community alike. The applied issues range from crystallization and dendrite growth to quantum chaos, conveying their significance far into the neighboring disciplines of science.
Invisible in the Storm
They explore how weather forecasters today formulate their ideas through state-of-the-art mathematics, taking into account limitations to predictability.
A Journey through the History of Numerical Linear Algebra
This expansive volume describes the history of numerical methods proposed for solving linear algebra problems, from antiquity to the present day. The authors focus on methods for linear systems of equations and eigenvalue problems and describe the interplay between numerical methods and the computing tools available at the time. The second part of the book consists of 78 biographies of important contributors to the field. A Journey through the History of Numerical Linear Algebra will be of special interest to applied mathematicians, especially researchers in numerical linear algebra, people involved in scientific computing, and historians of mathematics.
Acta Numerica 2003: Volume 12
An annual volume presenting substantive survey articles in numerical mathematics and scientific computing.
Princeton Companion to Applied Mathematics
The must-have compendium on applied mathematics This is the most authoritative and accessible single-volume reference book on applied mathematics. Featuring numerous entries by leading experts and organized thematically, it introduces readers to applied mathematics and its uses; explains key concepts; describes important equations, laws, and functions; looks at exciting areas of research; covers modeling and simulation; explores areas of application; and more. Modeled on the popular Princeton Companion to Mathematics, this volume is an indispensable resource for undergraduate and graduate students, researchers, and practitioners in other disciplines seeking a user-friendly reference book on ...
Retarded Potentials and Time Domain Boundary Integral Equations
This book offers a thorough and self-contained exposition of the mathematics of time-domain boundary integral equations associated to the wave equation, including applications to scattering of acoustic and elastic waves. The book offers two different approaches for the analysis of these integral equations, including a systematic treatment of their numerical discretization using Galerkin (Boundary Element) methods in the space variables and Convolution Quadrature in the time variable. The first approach follows classical work started in the late eighties, based on Laplace transforms estimates. This approach has been refined and made more accessible by tailoring the necessary mathematical tools, avoiding an excess of generality. A second approach contains a novel point of view that the author and some of his collaborators have been developing in recent years, using the semigroup theory of evolution equations to obtain improved results. The extension to electromagnetic waves is explained in one of the appendices.
Surveys in Differential-Algebraic Equations IV
The present volume comprises survey articles on various fields of Differential-Algebraic Equations (DAEs) which have widespread applications in controlled dynamical systems, especially in mechanical and electrical engineering and a strong relation to (ordinary) differential equations. The individual chapters provide reviews, presentations of the current state of research and new concepts in - History of DAEs - DAE aspects of mechanical multibody systems - Model reduction of DAEs - Observability for DAEs - Numerical Analysis for DAEs The results are presented in an accessible style, making this book suitable not only for active researchers but also for graduate students (with a good knowledge of the basic principles of DAEs) for self-study.
