前園涼(著)/第一原理計算チュートリアル:材料解析・情報・設計のために
Ab initio Calculation Tutorial
For Materials Analysis, Informatics and Design
Maezono, Ryo
- 出版社:Springer
- 出版年月:2024年 05月
- ISBN:9789819909216
- 装丁:PAP
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装丁について
- 言語:ENG
- 巻数・ページ数:240 p.
- 内容紹介:
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New in softcover. Hardcover was published in 2023. This textbook covers the framework of first-principles analysis applied to materials using density functional theory (DFT). It provides a set of hands-on tutorials using the Quantum ESPRESSO package, an open-source software for DFT. The tutorials are well chosen, designed for maximum effectiveness while requiring a minimum of the reader's time, and the book describes how the essential components are combined to create the practical applications based on the idea of modeling practical problems of materials.