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 w...

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Bibliografiske detaljer

Hovedforfatter:	Maezono, Ryo (Author)
Institution som forfatter:	SpringerLink (Online service)
Format:	Electronisk eBog
Sprog:	engelsk
Udgivet:	Singapore : Springer Nature Singapore : Imprint: Springer, 2023.
Udgivelse:	1st ed. 2023.
Fag:	Density functionals. Materials science > Data processing. Electronic structure. Quantum chemistry > Computer programs. Materials. Chemistry. Computer simulation. Density Functional Theory. Electronic Structure Calculations. Computational Materials Science. Computational Design Of Materials.
Online adgang:	https://doi.org/10.1007/978-981-99-0919-3
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