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AB initio calculation tutorialfor materials analysis, informatics and design /

Record Type:	Electronic resources : Monograph/item
Title/Author:	AB initio calculation tutorialby Ryo Maezono.
Reminder of title:	for materials analysis, informatics and design /
Author:	Maezono, Ryo.
Published:	Singapore :Springer Nature Singapore :2023.
Description:	1 online resource (xvii, 277 p.) :ill., digital ;24 cm.
Contained By:	Springer Nature eBook
Subject:	MaterialsAnalysis.
Online resource:	https://doi.org/10.1007/978-981-99-0919-3
ISBN:	9789819909193$q(electronic bk.)

AB initio calculation tutorialfor materials analysis, informatics and design /
Maezono, Ryo.

AB initio calculation tutorialfor materials analysis, informatics and design /[electronic resource] :by Ryo Maezono. - Singapore :Springer Nature Singapore :2023. - 1 online resource (xvii, 277 p.) :ill., digital ;24 cm.

Introduction -- Preparing tutorial environments -- Sequence of computational procedure -- Determining computational conditions -- Points to understand in background theories.

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.

ISBN: 9789819909193$q(electronic bk.)

Standard No.: 10.1007/978-981-99-0919-3doiSubjects--Topical Terms:

310561
Materials
--Analysis.

LC Class. No.: TA405

Dewey Class. No.: 620.112

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