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.
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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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Describes carefully how to set up personal computers and build environments Clarifies theories in practical terms Explains how research projects can be carried out with supercomputers
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Produktdetaljer

ISBN
9789819909186
Publisert
2023-05-17
Utgiver
Springer Verlag, Singapore
Høyde
235 mm
Bredde
155 mm
Aldersnivå
Upper undergraduate, UU, UP, 05
Språk
Product language
Engelsk
Format
Product format
Innbundet
Antall sider
17

Forfatter