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eBook
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Ab Initio Calculation Tutorial - ENG

For Materials Analysis, Informatics And Design

eBook

$1,400.00
Disponible
ISBN: 9789819909193
Formato: ePub
Idioma: Inglés
Editorial: Springer Nature
Tema: Ciencia
Subtema: Química general
Año de publicación: 2023-05-16

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 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.

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