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Parallel Computing in Quantum Chemistry

By Janssen, Curtis L.

Parallel Computing in Quantum Chemistry Natural Sciences

Parallel Computing in Quantum Chemistry

By Janssen, Curtis L.

0 - Default Title
Description
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.
Product details
Binding:
Paperback
Edition:
1
Number of Pages:
232
Release Date:
2019-09-19
Publication Date:
2019-09-19
Publisher:
CRC Press
Languages:
Original: English
ISBN10:
0367387506
ISBN13:
9780367387501
GPSR Manufacturer Reference:
[email protected]
Weight:
360 g
Height:
156 cm
Width:
234 cm
Thickness:
13 cm
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