Molecular Dynamics On Parallel Computers

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Workshop On Molecular Dynamics On Parallel Computers
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Author : Rdiger Esser
language : en
Publisher: World Scientific
Release Date : 2000
Workshop On Molecular Dynamics On Parallel Computers written by Rdiger Esser and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000 with Science categories.
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.
Parallel Computing
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Author : Roman Trobec
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-06-18
Parallel Computing written by Roman Trobec and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-06-18 with Computers categories.
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.
Numerical Simulation In Molecular Dynamics
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Author : Michael Griebel
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-08-16
Numerical Simulation In Molecular Dynamics written by Michael Griebel and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-08-16 with Science categories.
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.
Parallel Computing In Computational Chemistry
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Author : Timothy G. Mattson
language : en
Publisher: Wiley-VCH
Release Date : 1995-07-27
Parallel Computing In Computational Chemistry written by Timothy G. Mattson and has been published by Wiley-VCH this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-07-27 with Computers categories.
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.
Parallel Computing Is Everywhere
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Author : S. Bassini
language : en
Publisher: IOS Press
Release Date : 2018-03-07
Parallel Computing Is Everywhere written by S. Bassini and has been published by IOS Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-03-07 with Computers categories.
The most powerful computers work by harnessing the combined computational power of millions of processors, and exploiting the full potential of such large-scale systems is something which becomes more difficult with each succeeding generation of parallel computers. Alternative architectures and computer paradigms are increasingly being investigated in an attempt to address these difficulties. Added to this, the pervasive presence of heterogeneous and parallel devices in consumer products such as mobile phones, tablets, personal computers and servers also demands efficient programming environments and applications aimed at small-scale parallel systems as opposed to large-scale supercomputers. This book presents a selection of papers presented at the conference: Parallel Computing (ParCo2017), held in Bologna, Italy, on 12 to 15 September 2017. The conference included contributions about alternative approaches to achieving High Performance Computing (HPC) to potentially surpass exa- and zetascale performances, as well as papers on the application of quantum computers and FPGA processors. These developments are aimed at making available systems better capable of solving intensive computational scientific/engineering problems such as climate models, security applications and classic NP-problems, some of which cannot currently be managed by even the most powerful supercomputers available. New areas of application, such as robotics, AI and learning systems, data science, the Internet of Things (IoT), and in-car systems and autonomous vehicles were also covered. As always, ParCo2017 attracted a large number of notable contributions covering present and future developments in parallel computing, and the book will be of interest to all those working in the field.
Parallel Computing
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Author : Christian Bischof
language : en
Publisher: IOS Press
Release Date : 2008
Parallel Computing written by Christian Bischof and has been published by IOS Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with Computers categories.
ParCo2007 marks a quarter of a century of the international conferences on parallel computing that started in Berlin in 1983. The aim of the conference is to give an overview of the developments, applications and future trends in high-performance computing for various platforms.
Molecular Dynamics On Parallel Computers
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Author : Peter Grassberger
language : en
Publisher: World Scientific Publishing Company
Release Date : 2000
Molecular Dynamics On Parallel Computers written by Peter Grassberger and has been published by World Scientific Publishing Company this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000 with Molecular dynamics categories.
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.
Parallel Computing Technology Trends
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Author : I. Foster
language : en
Publisher: IOS Press
Release Date : 2020-03-25
Parallel Computing Technology Trends written by I. Foster and has been published by IOS Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-03-25 with Computers categories.
The year 2019 marked four decades of cluster computing, a history that began in 1979 when the first cluster systems using Components Off The Shelf (COTS) became operational. This achievement resulted in a rapidly growing interest in affordable parallel computing for solving compute intensive and large scale problems. It also directly lead to the founding of the Parco conference series. Starting in 1983, the International Conference on Parallel Computing, ParCo, has long been a leading venue for discussions of important developments, applications, and future trends in cluster computing, parallel computing, and high-performance computing. ParCo2019, held in Prague, Czech Republic, from 10 – 13 September 2019, was no exception. Its papers, invited talks, and specialized mini-symposia addressed cutting-edge topics in computer architectures, programming methods for specialized devices such as field programmable gate arrays (FPGAs) and graphical processing units (GPUs), innovative applications of parallel computers, approaches to reproducibility in parallel computations, and other relevant areas. This book presents the proceedings of ParCo2019, with the goal of making the many fascinating topics discussed at the meeting accessible to a broader audience. The proceedings contains 57 contributions in total, all of which have been peer-reviewed after their presentation. These papers give a wide ranging overview of the current status of research, developments, and applications in parallel computing.
Parallel Processing And Applied Mathematics
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Author : Roman Wyrzykowski
language : en
Publisher: Springer
Release Date : 2003-08-01
Parallel Processing And Applied Mathematics written by Roman Wyrzykowski and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-08-01 with Computers categories.
This book constitutes the thoroughly refereed post-proceedings of the 4th International Conference on Parallel Processing and Applied Mathematics, PPAM 2002, held in Naleczow, Poland, in September 2001. The 101 papers presented were carefully reviewed and improved during two rounds of reviewing and revision. The book offers topical sections on distributed and grid architectures, scheduling and load balancing, performance analysis and prediction, parallel non-numerical algorithms, parallel programming, tools and environments, parallel numerical algorithms, applications, and evolutionary computing and neural networks.
Applications On Advanced Architecture Computers
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Author : Greg Astfalk
language : en
Publisher: SIAM
Release Date : 1996-01-01
Applications On Advanced Architecture Computers written by Greg Astfalk and has been published by SIAM this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996-01-01 with Computers categories.
This volume conveniently brings together updated versions of 30 articles that originally appeared in SIAM News from 1990 to 1995. The objective of the column from which the articles are taken is to present applications that have been successfully treated on advanced architecture computers. Astfalk edits this popular series of articles in SIAM's flagship publication, SIAM News. Algorithmic issues addressed are those which have found general use in building parallel codes for solving problems. In addition to updates that reflect advances and changes in the field of applications on advanced architecture computers, Astfalk has added an index and introductory comments to each article, making this book cohesive and interesting to practitioners and researchers alike.