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Parallel Computing in Quantum Chemistry by Curtis L. Janssen; Ida M. B. Nielsen is a nonfiction available to read on EtoBox.

What is Parallel Computing in Quantum Chemistry about?

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 s

Who reads Parallel Computing in Quantum Chemistry?

Author

Curtis L. Janssen; Ida M. B. Nielsen

Publisher

CRC Press LLC

Published

2008

Language

EN

ISBN

9781420051643

Category

nonfiction

Subjects

Computer Science, Science, Chemistry