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Parallel Computing in Quantum Chemistry - 9781420051643

Un libro in lingua di Janssen Curtis L. Nielsen Ida M. B. edito da Taylor & Francis, 2008

  • € 92.60
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Written to serve as a reference for the design and implementation of parallel quantum chemistry programs, this work examines parallel programming challenges from the perspective of a quantum chemist. Focusing on good parallel program design and performance analysis, the first part of the book deals with parallel computing concepts, terminology, and architectures, and looks at trends in hardware, methods, and algorithms. The second part of the book offers detailed discussions and performance analyses of parallel algorithms for a number of widely used quantum chemistry procedures and methods. Readers are assumed to have a basic understanding of quantum chemistry, including Hartree-Fock theory and correlated electronic structure methods. No prior experience with parallel programming is required, but the reader should be familiar with computer programming and programming languages at the advanced undergraduate level. Because the program examples are written in C, at least a rudimentary knowledge of C is helpful. Janssen and Nielson are affiliated with Sandia National Laboratories. Annotation ©2008 Book News, Inc., Portland, OR (booknews.com)

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