Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed here include: multiscale formulations for biomolecular modelling, such as quantum-classical methods and advanced solvation techniques; protein folding methods and schemes for sampling complex landscapes; membrane simulations; free energy calculation; and techniques for improving ergodicity. The book is meant to be useful for practitioners in the...
Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading r...
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...
Many computionally challenging problems omnipresent in science and engineering exhibit multiscale phenomena so that the task of computing or even repr...
To make full use of the ever increasing hardware capabilities of modern com puters, it is necessary to speedily enhance the performance and reliability of the software as well, and often without having a suitable mathematical theory readily available. In the handling of more and more complex real-life numerical problems in all sorts of applications, a modern object-oriented de sign and implementation of software tools has become a crucial component. The considerable challenges posed by the demand for efficient object-oriented software in all areas of scientific computing make it necessary to...
To make full use of the ever increasing hardware capabilities of modern com puters, it is necessary to speedily enhance the performance and reliabilit...
Since the dawn of computing, the quest for a better understanding of Nature has been a driving force for technological development. Groundbreaking achievements by great scientists have paved the way from the abacus to the supercomputing power of today. When trying to replicate Nature in the computer's silicon test tube, there is need for precise and computable process descriptions. The scienti?c ?elds of Ma- ematics and Physics provide a powerful vehicle for such descriptions in terms of Partial Differential Equations (PDEs). Formulated as such equations, physical laws can become subject to...
Since the dawn of computing, the quest for a better understanding of Nature has been a driving force for technological development. Groundbreaking ach...
This is nothing less than an essential text in what is a new and growing discipline. Electromagnetic modeling and computations is expanding as a result of the steadily increasing demand for designing electrical devices, modeling electromagnetic materials, and simulating electromagnetic fields in nanoscale structures. The aim of this volume is to bring together prominent worldwide experts to review state-of-the-art developments and future trends of modeling and computations in electromagnetics.
This is nothing less than an essential text in what is a new and growing discipline. Electromagnetic modeling and computations is expanding as a re...
In the past decades, model reduction has become an ubiquitous tool in analysis and simulation of dynamical systems, control design, circuit simulation, structural dynamics, CFD, and many other disciplines dealing with complex physical models. The aim of this book is to survey some of the most successful model reduction methods in tutorial style articles and to present benchmark problems from several application areas for testing and comparing existing and new algorithms. As the discussed methods have often been developed in parallel in disconnected application areas, the intention of the...
In the past decades, model reduction has become an ubiquitous tool in analysis and simulation of dynamical systems, control design, circuit simulat...
This volume contains 39 of the papers presented at the Sixth European Multigrid Conference, held in Gent, Belgium, September 27-30, 1999. The topics treated at the conference cover all aspects of Multigrid Methods: theory, analysis, computer implementation, applications in the fields of physics, chemistry, fluid mechanics, structural mechanics and magnetism.
This volume contains 39 of the papers presented at the Sixth European Multigrid Conference, held in Gent, Belgium, September 27-30, 1999. The topics t...
th This volume contains a selection of 41 refereed papers presented at the 18 International Conference of Domain Decomposition Methods hosted by the School of ComputerScience and Engineering(CSE) of the Hebrew Universityof Jerusalem, Israel, January 12-17, 2008. 1 Background of the Conference Series The International Conference on Domain Decomposition Methods has been held in twelve countries throughout Asia, Europe, the Middle East, and North America, beginning in Paris in 1987. Originally held annually, it is now spaced at roughly 18-month intervals. A complete list of past meetings appears...
th This volume contains a selection of 41 refereed papers presented at the 18 International Conference of Domain Decomposition Methods hosted by the S...
This volume in the series Lecture Notes in Computational Science and Engineering presents a collection of papers presented at the International Workshop on FSI, held in October 2005 in Hohenwart and organized by DFG's Research Unit 493 "FSI: Modeling, Simulation, and Optimization." The papers address partitioned and monolithic coupling approaches, methodical issues and applications, and discuss FSI from the mathematical, informatics, and engineering points of view.
This volume in the series Lecture Notes in Computational Science and Engineering presents a collection of papers presented at the International Wor...
treated in more detail. They are just specimen of larger classes of schemes. Es sentially, we have to distinguish between semi-analytical methods, discretiza tion methods, and lumped circuit models. The semi-analytical methods and the discretization methods start directly from Maxwell's equations. Semi-analytical methods are concentrated on the analytical level: They use a computer only to evaluate expressions and to solve resulting linear algebraic problems. The best known semi-analytical methods are the mode matching method, which is described in subsection 2. 1, the method of integral...
treated in more detail. They are just specimen of larger classes of schemes. Es sentially, we have to distinguish between semi-analytical methods, dis...
