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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For Materials Analysis, Informatics and Design
Produktdetaljer
ISBN
9789819909193
Publisert
2024
Utgiver
Springer Nature
Språk
Product language
Engelsk
Format
Product format
Digital bok
Forfatter