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Molecular Dynamics On Parallel Computers
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Book Synopsis Molecular Dynamics On Parallel Computers by : Peter Grassberger
Download or read book Molecular Dynamics On Parallel Computers written by Peter Grassberger and published by World Scientific. This book was released on 2000-02-22 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular dynamics is a well-established technique for simulating complex many-particle systems in many areas of physics, chemistry, and astrophysics. The huge computational requirements for simulations of large systems, especially with long-range forces, demand the use of massively parallel computers. Designing efficient algorithms for these problems is a highly non-trivial task.This book contains the invited talks and abstracts presented at a conference by more than 100 researchers from various fields: computer science, solid state physics, high energy physics, polymers, biochemistry, granular materials and astrophysics. Most of the contributions have been written by users of massively parallel computers and deal with practical issues, but there are also contributions tackling more fundamental algorithmic problems.
Author :Peter Grassberger Publisher :World Scientific Publishing Company ISBN 13 :9789810242329 Total Pages :312 pages Book Rating :4.2/5 (423 download)
Book Synopsis Molecular Dynamics on Parallel Computers by : Peter Grassberger
Download or read book Molecular Dynamics on Parallel Computers written by Peter Grassberger and published by World Scientific Publishing Company. This book was released on 2000 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular dynamics is a well-established technique for simulating complex many-particle systems in many areas of physics, chemistry, and astrophysics. The huge computational requirements for simulations of large systems, especially with long-range forces, demand the use of massively parallel computers. Designing efficient algorithms for these problems is a highly non-trivial task. This book contains the invited talks and abstracts presented at a conference by more than 100 researchers from various fields: computer science, solid state physics, high energy physics, polymers, biochemistry, granular materials and astrophysics. Most of the contributions have been written by users of massively parallel computers and deal with practical issues, but there are also contributions tackling more fundamental algorithmic problems.
Book Synopsis Parallel Computing by : Roman Trobec
Download or read book Parallel Computing written by Roman Trobec and published by Springer Science & Business Media. This book was released on 2009-06-18 with total page 531 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of parallel programming and architectures is essential for simulating and solving problems in modern computational practice. There has been rapid progress in microprocessor architecture, interconnection technology and software devel- ment, which are in?uencing directly the rapid growth of parallel and distributed computing. However, in order to make these bene?ts usable in practice, this dev- opment must be accompanied by progress in the design, analysis and application aspects of parallel algorithms. In particular, new approaches from parallel num- ics are important for solving complex computational problems on parallel and/or distributed systems. The contributions to this book are focused on topics most concerned in the trends of today’s parallel computing. These range from parallel algorithmics, progr- ming, tools, network computing to future parallel computing. Particular attention is paid to parallel numerics: linear algebra, differential equations, numerical integ- tion, number theory and their applications in computer simulations, which together form the kernel of the monograph. We expect that the book will be of interest to scientists working on parallel computing, doctoral students, teachers, engineers and mathematicians dealing with numerical applications and computer simulations of natural phenomena.
Book Synopsis Large-scale Molecular Dynamics Simulation Using Vector and Parallel Computers by : Dennis C. Rapaport
Download or read book Large-scale Molecular Dynamics Simulation Using Vector and Parallel Computers written by Dennis C. Rapaport and published by . This book was released on 1988 with total page 53 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Simulation of Fluids by : Richard J. Sadus
Download or read book Molecular Simulation of Fluids written by Richard J. Sadus and published by OECD Publishing. This book was released on 2002-05-17 with total page 716 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book is to examine some of the important aspects of recent progress in the use of molecular simulation for investigating fluids. It encompasses both Monte Carlo and molecular dynamic techniques providing details of theory, algorithms and implementation.
Book Synopsis Molecular Dynamics Simulations on Parallel Computers by : Stephen E. DeBolt
Download or read book Molecular Dynamics Simulations on Parallel Computers written by Stephen E. DeBolt and published by . This book was released on 1993 with total page 712 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Workshop on Molecular Dynamics on Parallel Computers by : Rüdiger Esser
Download or read book Workshop on Molecular Dynamics on Parallel Computers written by Rüdiger Esser and published by . This book was released on 2000 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Mega-molecular Dynamics on Highly Parallel Computers by : Kian-Tat Lim
Download or read book Mega-molecular Dynamics on Highly Parallel Computers written by Kian-Tat Lim and published by . This book was released on 1995 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Supercomputing for Molecular Dynamics Simulations by : Alexander Heinecke
Download or read book Supercomputing for Molecular Dynamics Simulations written by Alexander Heinecke and published by Springer. This book was released on 2015-03-30 with total page 83 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms. The work describes distributed and shared-memory parallelization on these platforms, including load balancing, with a particular focus on the efficient implementation of the compute kernels. The text also discusses the software-architecture of the resulting code.
Book Synopsis Numerical Simulation in Molecular Dynamics by : Michael Griebel
Download or read book Numerical Simulation in Molecular Dynamics written by Michael Griebel and published by Springer Science & Business Media. This book was released on 2007-08-16 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book details the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating computer particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text offers step-by-step explanations of numerical simulation, providing illustrative code examples. With the description of the algorithms and the presentation of the results of various simulations from fields such as material science, nanotechnology, biochemistry and astrophysics, the reader of this book will learn how to write programs capable of running successful experiments for molecular dynamics.
Book Synopsis Tight Binding Molecular Dynamics on Parallel Computers by : Stefan Goedecker
Download or read book Tight Binding Molecular Dynamics on Parallel Computers written by Stefan Goedecker and published by . This book was released on 1994 with total page 16 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Large-scale Molecular Dynamics Simulation Using Vector and Parallel Computers by : D. C. Rapaport
Download or read book Large-scale Molecular Dynamics Simulation Using Vector and Parallel Computers written by D. C. Rapaport and published by . This book was released on 1988 with total page 53 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Parallel Algorithms in Computational Science by : Dieter W. Heermann
Download or read book Parallel Algorithms in Computational Science written by Dieter W. Heermann and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt: Our aim in this book is to present and enlarge upon those aspects of parallel computing that are needed by practitioners of computational science. Today al most all classical sciences, such as mathematics, physics, chemistry and biology, employ numerical methods to help gain insight into nature. In addition to the traditional numerical methods, such as matrix inversions and the like, a whole new field of computational techniques has come to assume central importance, namely the numerical simulation methods. These methods are much less fully developed than those which are usually taught in a standard numerical math ematics course. However, they form a whole new set of tools for research in the physical sciences and are applicable to a very wide range of problems. At the same time there have been not only enormous strides forward in the speed and capability of computers but also dramatic new developments in computer architecture, and particularly in parallel computers. These improvements offer exciting prospects for computer studies of physical systems, and it is the new techniques and methods connected with such computer simulations that we seek to present in this book, particularly in the light of the possibilities opened up by parallel computers. It is clearly not possible at this early stage to write a definitive book on simulation methods and parallel computing.
Book Synopsis Classical Molecular Dynamics and Parallel Computing by : Godehard Sutmann
Download or read book Classical Molecular Dynamics and Parallel Computing written by Godehard Sutmann and published by . This book was released on 2002 with total page 20 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Parallel Computing in Computational Chemistry by : Timothy G. Mattson
Download or read book Parallel Computing in Computational Chemistry written by Timothy G. Mattson and published by Wiley-VCH. This book was released on 1995-07-27 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: Developed from a symposium sponsored by the Division of Computers in Chemistry at the 207th National Meeting of the American Chemical Society, San Diego, California, March 13-17, 1994.
Book Synopsis Special Purpose Computers by : Berni J. Alder
Download or read book Special Purpose Computers written by Berni J. Alder and published by Academic Press. This book was released on 2014-05-10 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: Special Purpose Computers describes special-purpose computers and compares them to general-purpose computers in terms of speed and cost. Examples of computers that were designed for the efficient solution of long established algorithms are given, including Navier-Stokes hydrodynamic solvers, classical molecular dynamic machines, and Ising model computers. Comprised of seven chapters, this volume begins by documenting the progress of the CalTech Concurrent Computation Program and its evolution from computational high-energy physics to a supercomputer initiative, with emphasis on the lessons learned including computer architecture issues and the trade-offs between in-house and commercial development. The reader is then introduced to the QCD Machine, a special-purpose parallel supercomputer that was designed and built to solve the lattice quantum chromodynamics problem. Subsequent chapters focus on the Geometry-Defining Processors and their application to the solution of partial differential equations; the Navier-Stokes computer; parallel processing using the Loosely Coupled Array of Processors (LCAP) system; and the Delft Ising system processor. The design and implementation of the Delft molecular-dynamics processor are also described. This book will be of interest to computer engineers and designers.
Book Synopsis Molecular-dynamics Simulations of Self-assembled Monolayers (SAM) on Parallel Computers by : Satyavani Vemparala
Download or read book Molecular-dynamics Simulations of Self-assembled Monolayers (SAM) on Parallel Computers written by Satyavani Vemparala and published by . This book was released on 2003 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
