Name: Parallel Computing in Quantum Chemistry (en Inglés)
Price: 185270.00 CLP
Availability: InStock
Author: Janssen, Curtis L. ; Nielsen, Ida M. B.
ISBN: 9781420051643

portada Parallel Computing in Quantum Chemistry (en Inglés)

Formato

Libro Físico

Autor

Curtis L. Janssen

Ida M. B. Nielsen

Editorial

CRC Press

Idioma

Inglés

N° páginas

230

Encuadernación

Tapa Dura

Dimensiones

24.1 x 18.2 x 1.8 cm

Peso

0.46 kg.

ISBN

1420051644

ISBN13

9781420051643

Categorías

Química física

Parallel Computing in Quantum Chemistry (en Inglés)

Curtis L. Janssen (Autor) · Ida M. B. Nielsen (Autor) · CRC Press · Tapa Dura

Libro Físico

$ 185.270

$ 370.530

Ahorras: $ 185.260

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Envío normal

Origen: Reino Unido (Costos de importación incluídos en el precio)

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Reseña del libro "Parallel Computing in Quantum Chemistry (en Inglés)"

An In-Depth View of Hardware Issues, Programming Practices, and Implementation of Key MethodsExploring 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 M ller-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.