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1313 件のレコードが見つかりました。
FUNCTIONALLY GRADED MATERIALS 1996 (pp.1-262)
- 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 01:53:02 +0900
Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons
- ジャーナル論文
- 著者
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Kousuke Nakano (author) (この著者で検索)National Institute for Materials Science
;
;Sandro Sorella (author) (この著者で検索);Dario Alfè (author) (この著者で検索)Andrea Zen (author) (この著者で検索) - キーワード
- 第一原理量子モンテカルロ法, 拡散量子モンテカルロ法
- 刊行年月日
- 2024-06-11
- 更新時刻
- 2024-08-27 08:30:13 +0900
Dome structure in pressure dependence of superconducting transition temperature for : Studies by ab initio low-energy effective Hamiltonian
- ジャーナル論文
- 著者
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Jean-Baptiste Morée (author) (この著者で検索)
https://orcid.org/0000-0002-0710-9880
(unauthenticated)
;
Youhei Yamaji (author) (この著者で検索)
;
Masatoshi Imada (author) (この著者で検索)
https://orcid.org/0000-0002-5511-2056
(unauthenticated)
- キーワード
- high-temperature superconductivity, ab initio calculation
- 刊行年月日
- 2024-05-13
- 更新時刻
- 2025-02-27 16:31:03 +0900
Enhancing thermoelectric properties of ScN films through twin domains
- ジャーナル論文
- 著者
-
;J. More-Chevalier (author) (この著者で検索);U.D. Wdowik (author) (この著者で検索);J. Martan (author) (この著者で検索);T. Baba (author) (この著者で検索);S. Cichoň (author) (この著者で検索);P. Levinský (author) (この著者で検索);D. Legut (author) (この著者で検索);E. de Prado (author) (この著者で検索);P. Hruška (author) (この著者で検索);J. Pokorný (author) (この著者で検索);J. Bulíř (author) (この著者で検索);C. Beltrami (author) (この著者で検索)T. Mori (author) (この著者で検索)National Institute for Materials Science
;
;M. Novotný (author) (この著者で検索);I. Gregora (author) (この著者で検索);L. Fekete (author) (この著者で検索);L. Volfová (author) (この著者で検索)J. Lančok (author) (この著者で検索)
- キーワード
- thermoelectric
- 刊行年月日
- 2024-12-24
- 更新時刻
- 2025-11-11 08:30:15 +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
Subphase exploration for SmFe12-based permanent magnets by Gibbs energies obtained with first-principles cluster-expansion method
- ジャーナル論文
- 著者
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;Satoru Enomoto (author) (この著者で検索);Sonju Kou (author) (この著者で検索)Taichi Abe (author) (この著者で検索)National Institute for Materials Science
;
Yoshihiro Gohda (author) (この著者で検索)
- キーワード
- Phase stability, CALHPAD, Ab initio calculations
- 刊行年月日
- 2023-04-11
- 更新時刻
- 2025-04-16 08:30:24 +0900
Algorithm for spin symmetry operation search
- ジャーナル論文
- 著者
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;Kohei Shinohara (author) (この著者で検索)Atsushi Togo (author) (この著者で検索)National Institute for Materials Science
;
;Hikaru Watanabe (author) (この著者で検索);Takuya Nomoto (author) (この著者で検索);Isao Tanaka (author) (この著者で検索)Ryotaro Arita (author) (この著者で検索)
- キーワード
- Spin symmetry operation
- 刊行年月日
- 2024-01-01
- 更新時刻
- 2024-08-29 16:30:23 +0900
Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional Theory Calculations and AI-Driven Methods
- ジャーナル論文
- 著者
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JALEM Randy (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/Interface Electrochemistry Group
;
TATEYAMA Yoshitaka (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/Interface Electrochemistry Group
;
TAKADA Kazunori (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
;
JANG Seonghoon (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/Interface Electrochemistry Group
- キーワード
- all solid state batteries, solid electrolytes, density functional theory, materials informatics, machine learning, novel materials search
- 刊行年月日
- 2023-09-07
- 更新時刻
- 2024-08-28 08:30:15 +0900
Luminescence Spectra Simulation of Ce 3+ ‐Activated Phosphors by Accumulating Emission Lines Along First‐Principles Molecular Dynamics Trajectories
- ジャーナル論文
- 著者
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Satoru Matsuishi (author) (この著者で検索)
;
Hidekazu Ikeno (author) (この著者で検索)
https://orcid.org/0000-0002-3840-4049
(unauthenticated)
;
Yukinori Koyama (author) (この著者で検索)
;
Takashi Takeda (author) (この著者で検索)
- キーワード
- Ce3+-activated phosphor, first-principles molecular dynamics, photoluminescence
- 刊行年月日
- 2026-05-27
- 更新時刻
- 2026-06-01 16:26:03 +0900
Numerical atomic basis orbitals from H to Kr
- ジャーナル論文
- 著者
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;T. Ozaki (author) (この著者で検索)H. Kino (author) (この著者で検索)National Institute for Materials Science
- キーワード
- OpenMX, first-principles calculation, DFT, LCAO, numerical atomic basis, benchmark, molecules, bulks
- 刊行年月日
- 2004-05-28
- 更新時刻
- 2024-01-05 22:11:39 +0900