Parallel Computing in Quantum Chemistry
Language: English
Published by CRC Press Inc, 2008
- Hardcover
- Used

Seller: Studibuch, Stuttgart, GermanyStudibuch
AbeBooks seller since April 24, 2018
Condition: Used - Very good
£ 72.48
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Add to basketItem description from seller
210 Seiten; 9781420051643.3 Gewicht in Gramm: 1.
Seller Inventory # 1108074
- Title
- Parallel Computing in Quantum Chemistry
- Author
- Janssen Curtis, L. und B. Nielsen Ida M.:
- Publisher
- CRC Press Inc
- Publication year
- 2008
- Condition
- Gut
- Binding
- hardcover
- Language
- English
- ISBN 10
- 1420051644
- ISBN 13
- 9781420051643
- Item weight
- 1 gram
- Seller catalogs
- Varia
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.
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