Parallel Computing in Quantum Chemistry
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Product Details
Author:
Curtis L. Janssen, Ida M. B. Nielsen
Format:
Paperback
Pages:
232
Publisher:
CRC Press (September 19, 2019)
Language:
English
Audience:
Professional and scholarly
ISBN-13:
9780367387501
Weight:
16oz
Dimensions:
6.125" x 9.1875"
File:
TAYLORFRANCIS-TayFran_260825152112108-20260825.xml
Folder:
TAYLORFRANCIS
List Price:
$94.99
Country of Origin:
United States
Case Pack:
1
As low as:
$90.24
Publisher Identifier:
P-CRC
Discount Code:
H
Pub Discount:
30
Imprint:
CRC Press
Overview
Through a solid assessment of parallel computing hardware issues, parallel programming practices, and implementation of key methods, this book enables readers to develop and implement efficient quantum chemistry software capable of utilizing large-scale parallel computers. It addresses specific parallel programming challenges facing quantum chemists not covered in other resources, including message-passing, multi-threading, and parallel computer architectures. The book presents in-depth performance analyses of several quantum chemistry procedures, such as the Hartree–Fock method and Møller–Plesset perturbation theory, and contains many program examples written in the C programming language.
