Download or read book Parallel Computing in Quantum Chemistry written by Curtis L. Janssen and published by CRC Press. This book was released on 2008-04-09 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: An In-Depth View of Hardware Issues, Programming Practices, and Implementation of Key Methods Exploring the challenges of parallel programming from the perspective of quantum chemists, Parallel Computing in Quantum Chemistry thoroughly covers topics relevant to designing and implementing parallel quantum chemistry programs. Focu

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.

Download or read book Parallel Computing in Computational Chemistry written by and published by . This book was released on 1995 with total page 222 pages. Available in PDF, EPUB and Kindle. Book excerpt:

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

Download or read book Parallel Computing for Bioinformatics and Computational Biology written by Albert Y. Zomaya and published by John Wiley & Sons. This book was released on 2006-04-14 with total page 814 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discover how to streamline complex bioinformatics applications with parallel computing This publication enables readers to handle more complex bioinformatics applications and larger and richer data sets. As the editor clearly shows, using powerful parallel computing tools can lead to significant breakthroughs in deciphering genomes, understanding genetic disease, designing customized drug therapies, and understanding evolution. A broad range of bioinformatics applications is covered with demonstrations on how each one can be parallelized to improve performance and gain faster rates of computation. Current parallel computing techniques and technologies are examined, including distributed computing and grid computing. Readers are provided with a mixture of algorithms, experiments, and simulations that provide not only qualitative but also quantitative insights into the dynamic field of bioinformatics. Parallel Computing for Bioinformatics and Computational Biology is a contributed work that serves as a repository of case studies, collectively demonstrating how parallel computing streamlines difficult problems in bioinformatics and produces better results. Each of the chapters is authored by an established expert in the field and carefully edited to ensure a consistent approach and high standard throughout the publication. The work is organized into five parts: * Algorithms and models * Sequence analysis and microarrays * Phylogenetics * Protein folding * Platforms and enabling technologies Researchers, educators, and students in the field of bioinformatics will discover how high-performance computing can enable them to handle more complex data sets, gain deeper insights, and make new discoveries.

Download or read book Applied Parallel Computing written by Yuefan Deng and published by World Scientific. This book was released on 2013 with total page 218 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book provides a practical guide to computational scientists and engineers to help advance their research by exploiting the superpower of supercomputers with many processors and complex networks. This book focuses on the design and analysis of basic parallel algorithms, the key components for composing larger packages for a wide range of applications.

Download or read book Methods in Computational Chemistry written by Stephen Wilson and published by Springer Science & Business Media. This book was released on 2013-12-01 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent years have seen the proliferation of new computer designs that employ parallel processing in one form or another in order to achieve maximum performance. Although the idea of improving the performance of computing machines by carrying out parts of the computation concurrently is not new (indeed, the concept was known to Babbage ), such machines have, until fairly recently, been confined to a few specialist research laboratories. Nowadays, parallel computers are commercially available and they are finding a wide range of applications in chemical calculations. The purpose of this volume is to review the impact that the advent of concurrent computation is already having, and is likely to have in the future, on chemical calculations. Although the potential of concurrent computation is still far from its full realization, it is already clear that it may turn out to be second in importance only to the introduction of the electronic digital computer itself.

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.

Download or read book High Performance Computing and Networking written by and published by Springer Science & Business Media. This book was released on 1994 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: High-performance computing and networking (HPCN) is driven by several initiatives in Europe, the United States, and Japan. In Europe several groups encouraged the Commission of the European Communities to start an HPCN programme. This two-volume work presents the proceedings of HPCN Europe 1994. Volume 2 includes sections on: networking, future European cooperative working possibilities in industry and research, HPCN computer centers aspects, performance evaluation and benchmarking, numerical algorithms for engineering, domain decomposition in engineering, parallel programming environments, load balancing and performance optimization, monitoring, debugging, and fault tolerance, programming languages in HPC, compilers and data parallel structures, architectural aspects, and late papers.

Download or read book Electronic Structure Calculations on Graphics Processing Units written by Ross C. Walker and published by John Wiley & Sons. This book was released on 2016-02-16 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics provides an overview of computing on graphics processing units (GPUs), a brief introduction to GPU programming, and the latest examples of code developments and applications for the most widely used electronic structure methods. The book covers all commonly used basis sets including localized Gaussian and Slater type basis functions, plane waves, wavelets and real-space grid-based approaches. The chapters expose details on the calculation of two-electron integrals, exchange-correlation quadrature, Fock matrix formation, solution of the self-consistent field equations, calculation of nuclear gradients to obtain forces, and methods to treat excited states within DFT. Other chapters focus on semiempirical and correlated wave function methods including density fitted second order Møller-Plesset perturbation theory and both iterative and perturbative single- and multireference coupled cluster methods. Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics presents an accessible overview of the field for graduate students and senior researchers of theoretical and computational chemistry, condensed matter physics and materials science, as well as software developers looking for an entry point into the realm of GPU and hybrid GPU/CPU programming for electronic structure calculations.

Download or read book Mathematical Challenges from Theoretical Computational Chemistry written by Committee on Mathematical Challenges from Computational Chemistry and published by National Academies Press. This book was released on 1995-04-12 with total page 144 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.

Download or read book Applied Parallel Computing Computations in Physics Chemistry and Engineering Science written by Jack Dongarra and published by Springer Science & Business Media. This book was released on 1996-02-27 with total page 582 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the refereed proceedings of the Second International Workshop on Applied Parallel Computing in Physics, Chemistry and Engineering Science, PARA'95, held in Lyngby, Denmark, in August 1995. The 60 revised full papers included have been contributed by physicists, chemists, and engineers, as well as by computer scientists and mathematicians, and document the successful cooperation of different scientific communities in the booming area of computational science and high performance computing. Many widely-used numerical algorithms and their applications on parallel computers are treated in detail.

Download or read book Quantum Chemical Methods for Massively Parallel Computers written by Michael Eric Colvin and published by . This book was released on 1986 with total page 242 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Languages and Compilers for Parallel Computing written by Bill Pugh and published by Springer. This book was released on 2005-12-17 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: The 15th Workshop on Languages and Compilers for Parallel Computing was held in July 2002 at the University of Maryland, College Park. It was jointly sponsored by the Department of Computer Science at the University of Ma- land and the University of Maryland Institute for Advanced Computer Studies (UMIACS).LCPC2002broughttogetherover60researchersfromacademiaand research institutions from many countries. The program of 26 papers was selected from 32 submissions. Each paper was reviewed by at least three Program Committee members and sometimes by additional reviewers. Prior to the workshop, revised versions of accepted papers were informally published on the workshop’s website and in a paper proceedings that was distributed at the meeting. This year, the workshopwas organizedinto sessions of papers on related topics, and each session consisted of two to three 30-minute presentations.Based on feedback from the workshop,the papers were revised and submitted for inclusion in the formal proceedings published in this volume. Two papers were presented at the workshop but later withdrawn from the ?nal proceedings by their authors. We were very lucky to have Bill Carlson from the Department of Defense give the LCPC 2002 keynote speech on “UPC: A C Language for Shared M- ory Parallel Programming.” Bill gave an excellent overview of the features and programming model of the UPC parallel programming language.

Download or read book High performance computing and networking written by Wolfgang Gentzsch and published by Springer Science & Business Media. This book was released on 1994 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annotation High-performance computing and networking (HPCN) is driven by several initiatives in Europe, the United States, and Japan. In Europe several groups encouraged the Commission of the European Communities to start an HPCN programme. This two-volume work presents the proceedings of HPCN Europe 1994. Volume 1 includes sections on: keynote talks, HPCN and visualization in industry, algorithms for engineering applications, electrical computer-aided engineering, computational fluid dynamics, computational chemistry, materials science, weather simulations, environmental applications and climate, high-energy physics and astrophysics, neuroscience and neural networks, and database applications.

Download or read book Parallel Science and Engineering Applications written by Laxmikant V. Kale and published by . This book was released on 2013-01-01 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: Developed in the context of science and engineering applications, with each abstraction motivated by and further honed by specific application needs, Charm++ is a production-quality system that runs on almost all parallel computers available. Parallel Science and Engineering Applications: The Charm++ Approach surveys a diverse and scalable collection of science and engineering applications, most of which are used regularly on supercomputers by scientists to further their research. After a brief introduction to Charm++, the book presents several parallel CSE codes written in the Charm++ model, along with their underlying scientific and numerical formulations, explaining their parallelization strategies and parallel performance. These chapters demonstrate the versatility of Charm++ and its utility for a wide variety of applications, including molecular dynamics, cosmology, quantum chemistry, fracture simulations, agent-based simulations, and weather modeling. The book is intended for a wide audience of people in academia and industry associated with the field of high performance computing. Application developers and users will find this book interesting as an introduction to Charm++ and to developing parallel applications in an asynchronous message-driven model. It will also be a useful reference for undergraduate and graduate courses in computer science and other engineering disciplines. Courses devoted to parallel programming and writing of parallel CSE applications will benefit from this book.

Download or read book Parallel Computing written by E H D'Hollander and published by World Scientific. This book was released on 2000-05-31 with total page 788 pages. Available in PDF, EPUB and Kindle. Book excerpt: This millennium will see the increased use of parallel computing technologies at all levels of mainstream computing. Most computer hardware will use these technologies to achieve higher computing speeds, high speed access to very large distributed databases and greater flexibility through heterogeneous computing. These developments can be expected to result in the extended use of all types of parallel computers in virtually all areas of human endeavour. Compute-intensive problems in emerging areas such as financial modelling and multimedia systems, in addition to traditional application areas of parallel computing such as scientific computing and simulation, will stimulate the developments. Parallel computing as a field of scientific research and development will move from a niche concentrating on solving compute-intensive scientific and engineering problems to become one of the fundamental computing technologies. This book gives a retrospective view of what has been achieved in the parallel computing field during the past three decades, as well as a prospective view of expected future developments. Contents: Invited PapersApplicationsAlgorithmsSystem Software and Hardware ArchitectureIndustrial PerspectiveExtended Abstracts Readership: Researchers in high-speed computing. Keywords:Computing Technologies;Algorithms;System Software;Hardware Architecture;High-Speed Computing