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The Art of High Performance Computing for Computational Science, Vol. 2

Advanced Techniques and Examples for Materials Science

Editors: Geshi, Masaaki (Ed.)

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  • Describes advanced and practical techniques for performance optimization in high parallelization
  • Features applications around material science
  • Includes many exercises to help readers gain a better understanding
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eBook £59.99
price for United Kingdom (gross)
  • ISBN 978-981-13-9802-5
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover £79.99
price for United Kingdom (gross)
  • ISBN 978-981-13-9801-8
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
About this book

This book presents advanced and practical techniques for performance optimization for highly parallel processing. Featuring various parallelization techniques in material science, it is a valuable resource for anyone developing software codes for computational sciences such as physics, chemistry, biology, earth sciences, space science, weather, disaster prevention and manufacturing, as well as for anyone using those software codes.

Chapter 1 outlines supercomputers and includes a brief explanation of the history of hardware. Chapter 2 presents procedures for performance evaluation, while Chapter 3 describes the set of tuned applications in materials science, nanoscience and nanotechnology, earth science and engineering on the K computer. Introducing the order-N method, based on density functional theory (DFT) calculation, Chapter 4 explains how to extend the applicability of DFT to large-scale systems by reducing the computational complexity. Chapter 5 discusses acceleration and parallelization in classical molecular dynamics simulations, and lastly, Chapter 6 explains techniques for large-scale quantum chemical calculations, including the order-N method.

This is the second of the two volumes that grew out of a series of lectures in the K computer project in Japan. The first volume addresses more basic techniques, and this second volume focuses on advanced and concrete techniques.

About the authors

Masaaki Geshi is an Associate Professor at the Institute for NanoScience Design at Osaka University. He received a Ph.D. in science from Kanazawa University in 2000. His research interests include materials design, from first-principles calculations to the synthesis process for new materials, and high-pressure physics.

Table of contents (6 chapters)

Table of contents (6 chapters)

Buy this book

eBook £59.99
price for United Kingdom (gross)
  • ISBN 978-981-13-9802-5
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover £79.99
price for United Kingdom (gross)
  • ISBN 978-981-13-9801-8
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
The Art of High Performance Computing for Computational Science, Vol. 2
Book Subtitle
Advanced Techniques and Examples for Materials Science
Editors
  • Masaaki Geshi
Copyright
2019
Publisher
Springer Singapore
Copyright Holder
Springer Nature Singapore Pte Ltd.
eBook ISBN
978-981-13-9802-5
DOI
10.1007/978-981-13-9802-5
Hardcover ISBN
978-981-13-9801-8
Edition Number
1
Number of Pages
IX, 206
Number of Illustrations
92 b/w illustrations, 7 illustrations in colour
Topics