Parallel Computing in Quantum Chemistry PDF Download
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Author: Curtis L. Janssen
Publisher: CRC Press
ISBN: 1420051652
Category : Mathematics
Languages : en
Pages : 232
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Book Description
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
Author: Curtis L. Janssen
Publisher: CRC Press
ISBN: 1420051652
Category : Mathematics
Languages : en
Pages : 232
Get Book Here
Book Description
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
Author: Timothy G. Mattson
Publisher: Wiley-VCH
ISBN:
Category : Computers
Languages : en
Pages : 240
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Book Description
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:
Publisher:
ISBN:
Category :
Languages : en
Pages : 222
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Book Description
Author: Stephen Wilson
Publisher: Springer Science & Business Media
ISBN: 1461574161
Category : Science
Languages : en
Pages : 256
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Book Description
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.
Author: Douglas J. K. Mewhort
Publisher: Springer Science & Business Media
ISBN: 3642126588
Category : Computers
Languages : en
Pages : 429
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Book Description
This book constitutes the thoroughly refereed post-conference proceedings of the 23rd International Symposium on High Performance Computing Systems and Applications, HPCS 2009, held in Kingston, Canada, in June 2009. The 29 revised full papers presented - fully revised to incorporate reviewers' comments and discussions at the symposium - were carefully selected for inclusion in the book. The papers are organized in topical sections on turbulence, materials and life sciences, bringing HPC to industry, computing science, mathematics, and statistics, as well as HPC systems and methods.
Author: Larkin Ridgway Scott
Publisher: Princeton University Press
ISBN: 0691227659
Category : Computers
Languages : en
Pages : 392
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Book Description
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: Foster
Publisher:
ISBN: 9787115103475
Category : Computer programming
Languages : zh-CN
Pages : 381
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Book Description
国外著名高等院校信息科学与技术优秀教材
Author: Peter Grassberger
Publisher: World Scientific
ISBN: 9814493554
Category : Science
Languages : en
Pages : 395
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Book Description
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: Laxmikant V. Kale
Publisher: CRC Press
ISBN: 1466504137
Category : Mathematics
Languages : en
Pages : 302
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Book Description
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 collecti
Author: National Research Council
Publisher: National Academies Press
ISBN: 0309168392
Category : Science
Languages : en
Pages : 238
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Book Description
Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
