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AB initio calculation tutorial = for...

Maezono, Ryo.

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AB initio calculation tutorial = for materials analysis, informatics and design /

Record Type:	Electronic resources : Monograph/item
Title/Author:	AB initio calculation tutorial/ by 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.
[NT 15003449]:	Introduction -- Preparing tutorial environments -- Sequence of computational procedure -- Determining computational conditions -- Points to understand in background theories.
Contained By:	Springer Nature eBook
Subject:	Materials - Analysis. -
Online resource:	https://doi.org/10.1007/978-981-99-0919-3
ISBN:	9789819909193

AB initio calculation tutorial = for 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

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

630582
Materials
--Analysis.

LC Class. No.: TA405

Dewey Class. No.: 620.112

AB initio calculation tutorial = for materials analysis, informatics and design /
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505 0 $a Introduction -- Preparing tutorial environments -- Sequence of computational procedure -- Determining computational conditions -- Points to understand in background theories.
520 $a 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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