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: Curtis L Janssen
Publisher: CRC Press
ISBN: 9780367387501
Category :
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. Focusing on good parallel program design and performance analysis, the first part of the book deals with parallel computer architectures and parallel computing concepts and terminology. The authors discuss trends in hardware, methods, and algorithms; parallel computer architectures and the overall system view of a parallel computer; message-passing; parallelization via multi-threading; measures for predicting and assessing the performance of parallel algorithms; and fundamental issues of designing and implementing parallel programs. The second part contains detailed discussions and performance analyses of parallel algorithms for a number of important and widely used quantum chemistry procedures and methods. The book presents schemes for the parallel computation of two-electron integrals, details the Hartree-Fock procedure, considers the parallel computation of second-order Møller-Plesset energies, and examines the difficulties of parallelizing local correlation methods. Through a solid assessment of parallel computing hardware issues, parallel programming practices, and implementation of key methods, this invaluable book enables readers to develop efficient quantum chemistry software capable of utilizing large-scale parallel computers.
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: Eduard Ayguadé
Publisher: Springer
ISBN: 3540693300
Category : Computers
Languages : en
Pages : 486
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Book Description
This book constitutes the thoroughly refereed post-proceedings of the 18th International Workshop on Languages and Compilers for Parallel Computing, LCPC 2005, held in Hawthorne, NY, USA in October 2005. The 26 revised full papers and eight short papers presented were carefully selected during two rounds of reviewing and improvement. The papers are organized in topical sections.
Author: National Academies of Sciences, Engineering, and Medicine
Publisher: National Academies Press
ISBN: 030947969X
Category : Computers
Languages : en
Pages : 273
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Book Description
Quantum mechanics, the subfield of physics that describes the behavior of very small (quantum) particles, provides the basis for a new paradigm of computing. First proposed in the 1980s as a way to improve computational modeling of quantum systems, the field of quantum computing has recently garnered significant attention due to progress in building small-scale devices. However, significant technical advances will be required before a large-scale, practical quantum computer can be achieved. Quantum Computing: Progress and Prospects provides an introduction to the field, including the unique characteristics and constraints of the technology, and assesses the feasibility and implications of creating a functional quantum computer capable of addressing real-world problems. This report considers hardware and software requirements, quantum algorithms, drivers of advances in quantum computing and quantum devices, benchmarks associated with relevant use cases, the time and resources required, and how to assess the probability of success.
Author: Yuefan Deng
Publisher: World Scientific
ISBN: 9814307602
Category : Computers
Languages : en
Pages : 218
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Book Description
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.
Author: Victor Eijkhout
Publisher: Lulu.com
ISBN: 1257992546
Category : Computers
Languages : en
Pages : 536
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Book Description
This is a textbook that teaches the bridging topics between numerical analysis, parallel computing, code performance, large scale applications.
Author: Roman Trobec
Publisher: Springer Science & Business Media
ISBN: 1848824092
Category : Computers
Languages : en
Pages : 531
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Book Description
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.
Author: Leng, J.
Publisher: IGI Global
ISBN: 161350117X
Category : Technology & Engineering
Languages : en
Pages : 701
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Book Description
By using computer simulations in research and development, computational science and engineering (CSE) allows empirical inquiry where traditional experimentation and methods of inquiry are difficult, inefficient, or prohibitively expensive. The Handbook of Research on Computational Science and Engineering: Theory and Practice is a reference for interested researchers and decision-makers who want a timely introduction to the possibilities in CSE to advance their ongoing research and applications or to discover new resources and cutting edge developments. Rather than reporting results obtained using CSE models, this comprehensive survey captures the architecture of the cross-disciplinary field, explores the long term implications of technology choices, alerts readers to the hurdles facing CSE, and identifies trends in future development.
Author: Wolfgang Gentzsch
Publisher: Springer Science & Business Media
ISBN: 9783540579816
Category : Computers
Languages : en
Pages : 548
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Book Description
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.
