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Ab initio Calculation Tutorial

von Ryo Maezono
Softcover - 9789819909216
69,54 €
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Hardcover - 9789819909186
96,29 €

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Hardcover - 9789819909186
96,29 €

Beschreibung

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. The book carefully explains how to prepare the platform to run the tutorials assisted by free software. This textbook is useful for students in experimental laboratories, for industrial researchers, and for those not majoring in theoretical studies but learning individually.


For Materials Analysis, Informatics and Design

For Materials Analysis, Informatics and Design

Details

Verlag Springer Singapore
Ersterscheinung 18. Mai 2024
Maße 23.5 cm x 15.5 cm
Gewicht 458 Gramm
Format Softcover
ISBN-13 9789819909216
Seiten 277

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