The Art of High Performance Computing for Computational Science, Vol. 2: Advanced Techniques and Examples for Materials Science
暫譯: 計算科學高效能運算的藝術，第2卷：材料科學的進階技術與範例
Geshi, Masaaki
- 出版商: Springer
- 出版日期: 2019-10-15
- 售價: $4,510
- 貴賓價: 9.5 折 $4,285
- 語言: 英文
- 頁數: 206
- 裝訂: Hardcover - also called cloth, retail trade, or trade
- ISBN: 9811398011
- ISBN-13: 9789811398018
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相關主題
商品描述
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.
商品描述(中文翻譯)
本書介紹了針對高並行處理的性能優化的先進和實用技術。書中涵蓋了材料科學中的各種並行化技術，對於任何開發計算科學（如物理、化學、生物、地球科學、太空科學、氣象、災害防治和製造業）軟體代碼的人士，以及使用這些軟體代碼的人士來說，都是一個寶貴的資源。
第一章概述了超級電腦，並簡要說明了硬體的歷史。第二章介紹了性能評估的程序，而第三章描述了在 K 電腦上針對材料科學、納米科學和納米技術、地球科學和工程的調整應用集。第四章介紹了基於密度泛函理論（DFT）計算的 order-N 方法，並解釋了如何通過降低計算複雜度來擴展 DFT 在大規模系統中的適用性。第五章討論了經典分子動力學模擬中的加速和並行化，最後，第六章解釋了大規模量子化學計算的技術，包括 order-N 方法。
這是源自日本 K 電腦計畫的一系列講座的兩卷書中的第二卷。第一卷著重於更基本的技術，而這第二卷則專注於先進和具體的技術。
作者簡介
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.
作者簡介(中文翻譯)
Masaaki Geshi 是大阪大學奈米科學設計研究所的副教授。他於2000年在金澤大學獲得科學博士學位。他的研究興趣包括材料設計，從第一性原理計算到新材料的合成過程，以及高壓物理學。
