TY  - GEN
AB  - 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 readers 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.
AU  - Maezono, Ryo,
CN  - TA405
CY  - Singapore :
DA  - 2023.
DO  - 10.1007/978-981-99-0919-3
DO  - doi
ID  - 1467993
KW  - Materials
KW  - Density functionals
LK  - https://univsouthin.idm.oclc.org/login?url=https://link.springer.com/10.1007/978-981-99-0919-3
N2  - 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 readers 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.
PB  - Springer,
PP  - Singapore :
PY  - 2023.
SN  - 9789819909193
SN  - 9819909198
T1  - AB initio calculation tutorial :for materials analysis, informatics and design /
TI  - AB initio calculation tutorial :for materials analysis, informatics and design /
UR  - https://univsouthin.idm.oclc.org/login?url=https://link.springer.com/10.1007/978-981-99-0919-3
ER  -