- MDR lattice thermal conductivity calculation database(4811)
- MDR XAFS DB(2263)
- Thermophysical Property Original Datasets(267)
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)(103)
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method(103)
- MDR HAXPES DB(37)
- MDR phonon calculation database(7)
- FGMs Database(6)
- SuperCon Knowledge Collection(5)
- MDR SuperCon Datasheet(2)
- Creative Commons BY Attribution 4.0 International (7348)
- Creative Commons BY-NC-SA Attribution-NonCommercial-ShareAlike 4.0 International (269)
- Creative Commons BY-NC Attribution-NonCommercial 4.0 International (2)
- http://opensource.org/licenses/MIT (2)
- http://creativecommons.org/publicdomain/zero/1.0/ (1)
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- In Copyright (1)
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
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
Benchmark Dataset used in the paper "Fast Evaluation of Unbiased Atomic Forces in ab initio Variational Monte Carlo via the Lagrangian Technique"
- データセット
- 著者
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Kosuke Nakano (author) (この著者で検索)National Institute for Materials Science (NIMS) Center for Basic Research on Materials (CBRM)
;
;Stefano Battaglia (author) (この著者で検索)University of Zurich (UZH) Department of ChemistryJürg Hutter (author) (この著者で検索)University of Zurich (UZH) Department of Chemistry
- キーワード
- Variational Monte Carlo, Atomic forces, rMD17
- 刊行年月日
- 更新時刻
- 2026-01-28 08:30:04 +0900
FGM 2002
- データセット
- コレクション
- FGMs Database
- 著者
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National Institute for Materials Science (author) (この著者で検索)
- キーワード
- functionally graded materials
- 刊行年月日
- 更新時刻
- 2022-10-03 01:48:07 +0900
MULTISCALE AND FUNCTIONALLY GRADED MATERIALS (FGM IX 2006) (pp.3-253)
- データセット
- コレクション
- FGMs Database
- 著者
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National Institute for Materials Science (author) (この著者で検索)
- キーワード
- functionally graded materials
- 刊行年月日
- 更新時刻
- 2022-10-03 01:56:22 +0900
Journal of Physics: Conference Series (Part 1)
- データセット
- コレクション
- FGMs Database
- 著者
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National Institute for Materials Science (author) (この著者で検索)
- キーワード
- functionally graded materials
- 刊行年月日
- 更新時刻
- 2022-10-03 01:51:10 +0900
Functionally Graded Materials (FGM2000) (pp.405-804)
- データセット
- コレクション
- FGMs Database
- 著者
-
National Institute for Materials Science (author) (この著者で検索)
- キーワード
- functionally graded materials
- 刊行年月日
- 更新時刻
- 2022-10-03 01:56:26 +0900
Functionally Graded Materials 1998 Proceedings of the 5th International symposium on Functionally Graded Materials (pp.539-793)
- データセット
- コレクション
- FGMs Database
- 著者
-
National Institute for Materials Science (author) (この著者で検索)
- キーワード
- functionally graded materials
- 刊行年月日
- 更新時刻
- 2022-10-03 01:27:47 +0900
Dataset of La(Fe,Si)13-based magnetocaloric alloys
- データセット
- 著者
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;Anton Bolyachkin (author) (この著者で検索)National Institute for Materials Science Research Center for Magnetic and Spintronic MaterialsSrinithi Ashok Krishnaswamy (author) (この著者で検索)National Institute for Materials Science Research Center for Magnetic and Spintronic Materials
- キーワード
- La(Fe,Si)13, Magnetocaloric effect, Transition temperature, Entropy change, Thermal hysteresis
- 刊行年月日
- 更新時刻
- 2024-12-02 16:30:26 +0900