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Author : Stephen E. DeBolt
Publisher :
ISBN 13 :
Total Pages : 712 pages
Book Rating : 4.:/5 (58 download)
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:
Author : Perla Balbuena
Publisher : Elsevier
ISBN 13 : 0080536840
Total Pages : 971 pages
Book Rating : 4.0/5 (85 download)
Download or read book Molecular Dynamics written by Perla Balbuena and published by Elsevier. This book was released on 1999-04-22 with total page 971 pages. Available in PDF, EPUB and Kindle. Book excerpt: The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Author : Peter Deuflhard
Publisher : Springer Science & Business Media
ISBN 13 : 3642583601
Total Pages : 500 pages
Book Rating : 4.6/5 (425 download)
Download or read book Computational Molecular Dynamics: Challenges, Methods, Ideas written by Peter Deuflhard and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: On May 21-24, 1997 the Second International Symposium on Algorithms for Macromolecular Modelling was held at the Konrad Zuse Zentrum in Berlin. The event brought together computational scientists in fields like biochemistry, biophysics, physical chemistry, or statistical physics and numerical analysts as well as computer scientists working on the advancement of algorithms, for a total of over 120 participants from 19 countries. In the course of the symposium, the speakers agreed to produce a representative volume that combines survey articles and original papers (all refereed) to give an impression of the present state of the art of Molecular Dynamics. The 29 articles of the book reflect the main topics of the Berlin meeting which were i) Conformational Dynamics, ii) Thermodynamic Modelling, iii) Advanced Time-Stepping Algorithms, iv) Quantum-Classical Simulations and Fast Force Field and v) Fast Force Field Evaluation.
Author : Michael T. Heath
Publisher : SIAM
ISBN 13 : 9780898712155
Total Pages : 796 pages
Book Rating : 4.7/5 (121 download)
Download or read book Hypercube Multiprocessors, 1987 written by Michael T. Heath and published by SIAM. This book was released on 1987-01-01 with total page 796 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings -- Parallel Computing.
Author : Kenny B. Lipkowitz
Publisher : John Wiley & Sons
ISBN 13 : 0470126108
Total Pages : 502 pages
Book Rating : 4.4/5 (71 download)
Download or read book Reviews in Computational Chemistry, Volume 6 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 6 of the successful series 'Reviews in Computational Chemistry' contains articles of interest to pharmaceutical chemists, biological chemists, chemical engineers, inorganic and organometallic chemists, synthetic organic chemists, polymer chemists, and theoretical chemists. The series is designed to help the chemistry community keep current with the many new developments in computational techniques. The writing style is refreshingly pedagogical and non-mathematical, allowing students and researchers access to computational methods outside their immediate area of expertise.
Author :
Publisher :
ISBN 13 :
Total Pages : 496 pages
Book Rating : 4.3/5 (243 download)
Download or read book Journal of Research of the National Institute of Standards and Technology written by and published by . This book was released on 2000 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher : DIANE Publishing
ISBN 13 : 9781422318928
Total Pages : 20 pages
Book Rating : 4.3/5 (189 download)
Download or read book Accelerating Scientific Discovery Through Computation and Visualization written by and published by DIANE Publishing. This book was released on with total page 20 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Michael Griebel
Publisher : Springer Science & Business Media
ISBN 13 : 3540680950
Total Pages : 472 pages
Book Rating : 4.5/5 (46 download)
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.
Author : Timothy G. Mattson
Publisher : Wiley-VCH
ISBN 13 :
Total Pages : 240 pages
Book Rating : 4.3/5 (91 download)
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.
Author : L. Ridgway Scott
Publisher : Princeton University Press
ISBN 13 : 0691227659
Total Pages : 392 pages
Book Rating : 4.6/5 (912 download)
Download or read book Scientific Parallel Computing written by L. Ridgway Scott and published by Princeton University Press. This book was released on 2021-03-09 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: What does Google's management of billions of Web pages have in common with analysis of a genome with billions of nucleotides? Both apply methods that coordinate many processors to accomplish a single task. From mining genomes to the World Wide Web, from modeling financial markets to global weather patterns, parallel computing enables computations that would otherwise be impractical if not impossible with sequential approaches alone. Its fundamental role as an enabler of simulations and data analysis continues an advance in a wide range of application areas. Scientific Parallel Computing is the first textbook to integrate all the fundamentals of parallel computing in a single volume while also providing a basis for a deeper understanding of the subject. Designed for graduate and advanced undergraduate courses in the sciences and in engineering, computer science, and mathematics, it focuses on the three key areas of algorithms, architecture, languages, and their crucial synthesis in performance. The book's computational examples, whose math prerequisites are not beyond the level of advanced calculus, derive from a breadth of topics in scientific and engineering simulation and data analysis. The programming exercises presented early in the book are designed to bring students up to speed quickly, while the book later develops projects challenging enough to guide students toward research questions in the field. The new paradigm of cluster computing is fully addressed. A supporting web site provides access to all the codes and software mentioned in the book, and offers topical information on popular parallel computing systems. Integrates all the fundamentals of parallel computing essential for today's high-performance requirements Ideal for graduate and advanced undergraduate students in the sciences and in engineering, computer science, and mathematics Extensive programming and theoretical exercises enable students to write parallel codes quickly More challenging projects later in the book introduce research questions New paradigm of cluster computing fully addressed Supporting web site provides access to all the codes and software mentioned in the book
Author : David Padua
Publisher : Springer Science & Business Media
ISBN 13 : 0387097651
Total Pages : 2211 pages
Book Rating : 4.3/5 (87 download)
Download or read book Encyclopedia of Parallel Computing written by David Padua and published by Springer Science & Business Media. This book was released on 2011-09-08 with total page 2211 pages. Available in PDF, EPUB and Kindle. Book excerpt: Containing over 300 entries in an A-Z format, the Encyclopedia of Parallel Computing provides easy, intuitive access to relevant information for professionals and researchers seeking access to any aspect within the broad field of parallel computing. Topics for this comprehensive reference were selected, written, and peer-reviewed by an international pool of distinguished researchers in the field. The Encyclopedia is broad in scope, covering machine organization, programming languages, algorithms, and applications. Within each area, concepts, designs, and specific implementations are presented. The highly-structured essays in this work comprise synonyms, a definition and discussion of the topic, bibliographies, and links to related literature. Extensive cross-references to other entries within the Encyclopedia support efficient, user-friendly searchers for immediate access to useful information. Key concepts presented in the Encyclopedia of Parallel Computing include; laws and metrics; specific numerical and non-numerical algorithms; asynchronous algorithms; libraries of subroutines; benchmark suites; applications; sequential consistency and cache coherency; machine classes such as clusters, shared-memory multiprocessors, special-purpose machines and dataflow machines; specific machines such as Cray supercomputers, IBM’s cell processor and Intel’s multicore machines; race detection and auto parallelization; parallel programming languages, synchronization primitives, collective operations, message passing libraries, checkpointing, and operating systems. Topics covered: Speedup, Efficiency, Isoefficiency, Redundancy, Amdahls law, Computer Architecture Concepts, Parallel Machine Designs, Benmarks, Parallel Programming concepts & design, Algorithms, Parallel applications. This authoritative reference will be published in two formats: print and online. The online edition features hyperlinks to cross-references and to additional significant research. Related Subjects: supercomputing, high-performance computing, distributed computing
Author : Robert Cypher
Publisher : Springer Science & Business Media
ISBN 13 : 1461226120
Total Pages : 153 pages
Book Rating : 4.4/5 (612 download)
Download or read book The SIMD Model of Parallel Computation written by Robert Cypher and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 153 pages. Available in PDF, EPUB and Kindle. Book excerpt: 1.1 Background There are many paradigmatic statements in the literature claiming that this is the decade of parallel computation. A great deal of research is being de voted to developing architectures and algorithms for parallel machines with thousands, or even millions, of processors. Such massively parallel computers have been made feasible by advances in VLSI (very large scale integration) technology. In fact, a number of computers having over one thousand pro cessors are commercially available. Furthermore, it is reasonable to expect that as VLSI technology continues to improve, massively parallel computers will become increasingly affordable and common. However, despite the significant progress made in the field, many funda mental issues still remain unresolved. One of the most significant of these is the issue of a general purpose parallel architecture. There is currently a huge variety of parallel architectures that are either being built or proposed. The problem is whether a single parallel computer can perform efficiently on all computing applications.
Author : L. Dekker
Publisher : Elsevier
ISBN 13 : 1483290433
Total Pages : 996 pages
Book Rating : 4.4/5 (832 download)
Download or read book Massively Parallel Processing Applications and Development written by L. Dekker and published by Elsevier. This book was released on 2013-10-22 with total page 996 pages. Available in PDF, EPUB and Kindle. Book excerpt: The contributions of a diverse selection of international hardware and software specialists are assimilated in this book's exploration of the development of massively parallel processing (MPP). The emphasis is placed on industrial applications and collaboration with users and suppliers from within the industrial community consolidates the scope of the publication. From a practical point of view, massively parallel data processing is a vital step to further innovation in all areas where large amounts of data must be processed in parallel or in a distributed manner, e.g. fluid dynamics, meteorology, seismics, molecular engineering, image processing, parallel data base processing. MPP technology can make the speed of computation higher and substantially reduce the computational costs. However, to achieve these features, the MPP software has to be developed further to create user-friendly programming systems and to become transparent for present-day computer software. Application of novel electro-optic components and devices is continuing and will be a key for much more general and powerful architectures. Vanishing of communication hardware limitations will result in the elimination of programming bottlenecks in parallel data processing. Standardization of the functional characteristics of a programming model of massively parallel computers will become established. Then efficient programming environments can be developed. The result will be a widespread use of massively parallel processing systems in many areas of application.
Author : Oak Ridge National Laboratory
Publisher :
ISBN 13 :
Total Pages : 564 pages
Book Rating : 4.3/5 (243 download)
Download or read book Review written by Oak Ridge National Laboratory and published by . This book was released on 1987 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 804 pages
Book Rating : 4.3/5 (91 download)
Download or read book SIAM Journal on Scientific Computing written by and published by . This book was released on 1993 with total page 804 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 226 pages
Book Rating : 4.:/5 (321 download)
Download or read book Proceedings written by and published by . This book was released on 1996 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: Twenty-nine papers from the July 1996 Message Passing Interface (MPI) conference showing the emerging importance of MPI as a standard for performance portable parallel programming. The presenters demonstrate several vital areas in the field involving implementations, extensions to the existing MPI standard, language issues, applications, debugging, and performance evaluations, including intersecting analyses of graphics and object-orientated MPI for cutting edge programmers. Includes illustrations and code. Lacks an index. Annotation copyrighted by Book News, Inc., Portland, OR.
Author : Rob H. Bisseling
Publisher : Oxford University Press
ISBN 13 : 0191092576
Total Pages : 410 pages
Book Rating : 4.1/5 (91 download)
Download or read book Parallel Scientific Computation written by Rob H. Bisseling and published by Oxford University Press. This book was released on 2020-09-30 with total page 410 pages. Available in PDF, EPUB and Kindle. Book excerpt: Building upon the wide-ranging success of the first edition, Parallel Scientific Computation presents a single unified approach to using a range of parallel computers, from a small desktop computer to a massively parallel computer. The author explains how to use the bulk synchronous parallel (BSP) model to design and implement parallel algorithms in the areas of scientific computing and big data, and provides a full treatment of core problems in these areas, starting from a high-level problem description, via a sequential solution algorithm to a parallel solution algorithm and an actual parallel program written in BSPlib. Every chapter of the book contains a theoretical section and a practical section presenting a parallel program and numerical experiments on a modern parallel computer to put the theoretical predictions and cost analysis to the test. Every chapter also presents extensive bibliographical notes with additional discussions and pointers to relevant literature, and numerous exercises which are suitable as graduate student projects. The second edition provides new material relevant for big-data science such as sorting and graph algorithms, and it provides a BSP approach towards new hardware developments such as hierarchical architectures with both shared and distributed memory. A single, simple hybrid BSP system suffices to handle both types of parallelism efficiently, and there is no need to master two systems, as often happens in alternative approaches. Furthermore, the second edition brings all algorithms used up to date, and it includes new material on high-performance linear system solving by LU decomposition, and improved data partitioning for sparse matrix computations. The book is accompanied by a software package BSPedupack, freely available online from the author's homepage, which contains all programs of the book and a set of test driver programs. This package written in C can be run using modern BSPlib implementations such as MulticoreBSP for C or BSPonMPI.
