國立高雄大學圖資館 |

登入

回首頁

AB initio calculation tutorialfor materials analysis, informatics and design /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	AB initio calculation tutorialby Ryo Maezono.
其他題名:	for materials analysis, informatics and design /
作者:	Maezono, Ryo.
出版者:	Singapore :Springer Nature Singapore :2023.
面頁冊數:	1 online resource (xvii, 277 p.) :ill., digital ;24 cm.
Contained By:	Springer Nature eBook
標題:	MaterialsAnalysis.
電子資源:	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

AB initio calculation tutorialfor materials analysis, informatics and design /
LDR:01985nmm a2200325 a 4500 001 637561
003 DE-He213
005 20230516150454.0
006 m d
007 cr nn 008maaau
008 230921s2023 si s 0 eng d
020 $a 9789819909193$q(electronic bk.)
020 $a 9789819909186$q(paper)
024 7 $a 10.1007/978-981-99-0919-3 $2 doi
035 $a 978-981-99-0919-3
040 $a GP $c GP
041 0 $a eng
050 4 $a TA405
072 7 $a PNRP $2 bicssc
072 7 $a SCI013050 $2 bisacsh
072 7 $a PNRP $2 thema
082 0 4 $a 620.112 $2 23
090 $a TA405 $b .M186 2023
100 1 $a Maezono, Ryo. $3 944054
245 1 0 $a AB initio calculation tutorial $h [electronic resource] : $b for materials analysis, informatics and design / $c by Ryo Maezono.
260 $a Singapore : $b Springer Nature Singapore : $b Imprint: Springer, $c 2023.
300 $a 1 online resource (xvii, 277 p.) : $b ill., digital ; $c 24 cm.
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.
650 0 $a Materials $x Analysis. $3 310561
650 0 $a Density functionals $x Computer programs. $3 944055
650 1 4 $a Density Functional Theory. $3 944056
650 2 4 $a Electronic Structure Calculations. $3 929154
650 2 4 $a Computational Materials Science. $3 924046
650 2 4 $a Computational Design Of Materials. $3 918964
710 2 $a SpringerLink (Online service) $3 273601
773 0 $t Springer Nature eBook
856 4 0 $u https://doi.org/10.1007/978-981-99-0919-3
950 $a Chemistry and Materials Science (SpringerNature-11644)