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portada AB Initio Calculation Tutorial: For Materials Analysis, Informatics and Design
Type
Physical Book
Author
Publisher
Language
English
Pages
277
Format
Hardcover
Dimensions
23.4x15.6x1.8 cm
Weight
0.59 kg.
ISBN13
9789819909186
Categories

AB Initio Calculation Tutorial: For Materials Analysis, Informatics and Design

Ryo Maezono (Author) · Springer · Hardcover

AB Initio Calculation Tutorial: For Materials Analysis, Informatics and Design - Maezono, Ryo

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Synopsis "AB Initio Calculation Tutorial: For Materials Analysis, Informatics and Design"

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.

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