First-principles insights into the atomic structure of carbon-nitrogen-oxygen complex color centers in silicon
- データセット
- 著者
-
UDVARHELYI Peter (author) (この著者で検索)
https://orcid.org/0000-0002-7073-1664
(unauthenticated)
National Institute for Materials Science International Center for Young Scientists
- キーワード
- color center, quantum defect, first-principles calculation
- 刊行年月日
- 更新時刻
- 2026-08-19 16:44:51 +0900
Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents
- データセット
- 著者
-
ISHIKAWA, Atsushi (author) (この著者で検索)
;
SODEYAMA, Keitaro (author) (この著者で検索)
;
IGARASHI, Yasuhiko (author) (この著者で検索)
https://orcid.org/0000-0003-1042-6657
(unauthenticated)
;
NAKAYAMA, Tomofumi (author) (この著者で検索)
https://orcid.org/0000-0003-1240-3571
(unauthenticated)
;
TATEYAMA, Yoshitaka (author) (この著者で検索)
;
OKADA, Masato (author) (この著者で検索)
https://orcid.org/0000-0002-9040-8784
(unauthenticated)
- キーワード
- quantum chemistry, electrolyte, battery
- 刊行年月日
- 2019-11-18
- 更新時刻
- 2024-01-05 22:13:39 +0900
DICE common message format schema
- データセット
- コレクション
- The history of DICE and NIMS Digital Library
- 著者
-
Materials Data Platform Center (author) (この著者で検索)
- キーワード
- Materials informatics, Data management, System architecture, Metadata
- 刊行年月日
- 2020-07-22
- 更新時刻
- 2022-10-03 01:55:22 +0900
Liquid electrolyte informatics using an exhaustive search with linear regression
- データセット
- 著者
-
SODEYAMA, Keitaro (author) (この著者で検索)National Institute for Materials Science
;
IGARASHI, Yasuhiko (author) (この著者で検索)
https://orcid.org/0000-0003-1042-6657
(unauthenticated)
;
NAKAYAMA, Tomofumi (author) (この著者で検索)
https://orcid.org/0000-0003-1240-3571
(unauthenticated)
;
TATEYAMA, Yoshitaka (author) (この著者で検索)National Institute for Materials Science
;
OKADA, Masato (author) (この著者で検索)
https://orcid.org/0000-0002-9040-8784
(unauthenticated)
- キーワード
- molecules, Li-ion battery, quantum chemistry calculations, materials informatics, Gaussian09, organic solvents
- 刊行年月日
- 2018-06-14
- 更新時刻
- 2024-02-08 17:54:30 +0900
Optical constants of MgxZn1-xO
- データセット
- 著者
-
Yusuke Kozuka (author) (この著者で検索)National Institute for Materials Science Research Center for Materials Nanoarchitectonics
- キーワード
- Optical constants, Spectroscopic ellipsometry, Zinc oxide
- 刊行年月日
- 2025-04-06
- 更新時刻
- 2025-04-08 11:27:45 +0900
Designing a Unified Data Structure for Solid-Electrolyte Research Projects
- データセット
- 著者
-
Yasuhiro Fujiwara (author) (この著者で検索)National Institute for Materials Science Research Network and Facility Services Division/Materials Data Platform/Data Application Unit
;
Masahiko Demura (author) (この著者で検索)National Institute for Materials Science Research Network and Facility Services Division
;
Kazunori Takada (author) (この著者で検索)National Institute for Materials Science Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Solid-State Battery Group
;
;Kota Suzuki (author) (この著者で検索)Institute of Science Tokyo;Satoshi Hori (author) (この著者で検索)Institute of Science Tokyo;Masaki Azuma (author) (この著者で検索)Institute of Science Tokyo;Ryoji Kanno (author) (この著者で検索)Institute of Science Tokyo;Yoshiyuki Inaguma (author) (この著者で検索)Gakushuin University;Akitoshi Hayashi (author) (この著者で検索)Osaka Metropolitan University;Yasutoshi Iriyama (author) (この著者で検索)Graduate School of Engineering, Nagoya University;Hirotoshi Yamada (author) (この著者で検索)Nagasaki UniversityTetsuhiro Katsumata (author) (この著者で検索)Tokai University
- キーワード
- process chain, data structure, data model, data management, Research Data Express, RDE, solid electrolytes
- 刊行年月日
- 2025-12-31
- 更新時刻
- 2025-12-19 08:30:30 +0900
TOAST: Template Oriented Atomic Simulation Toolkit
- データセット
- 著者
-
XU, Yibin (author) (この著者で検索)
;
ARAI, Masao (author) (この著者で検索)
- キーワード
- CompES-X, toolkit, First-principles calculation, atomic simulation
- 刊行年月日
- 2020-11-20
- 更新時刻
- 2022-10-03 01:26:50 +0900
Ab-initio phonon calculation for K2NiP2 / Cmcm (63) / materials id 9672
- データセット
- コレクション
- MDR phonon calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science MaDIS
- キーワード
- Phonon, K2NiP2, Cmcm (63)
- 刊行年月日
- 更新時刻
- 2023-05-14 19:01:27 +0900
Ab-initio phonon calculation for KNiPS4 / P4_2/mnm (136) / materials id 662530
- データセット
- コレクション
- MDR phonon calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science MaDIS
- キーワード
- Phonon, KNiPS4, P4_2/mnm (136)
- 刊行年月日
- 更新時刻
- 2023-05-14 18:50:18 +0900
Ab-initio phonon calculation for NiP2 / C2/c (15) / materials id 486
- データセット
- コレクション
- MDR phonon calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science MaDIS
- キーワード
- Phonon, NiP2, C2/c (15)
- 刊行年月日
- 更新時刻
- 2023-05-14 18:43:32 +0900