- MDR phonon calculation database(9312)
- MDR lattice thermal conductivity calculation database(4430)
- MDR XAFS DB(2253)
- Thermophysical Property Original Datasets(252)
- 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)
- FGMs Database(40)
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- MDR HAXPES DB(37)
- READS: Database of Promising Adsorbents for Decontamination of Radioactive Substances(10)
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16688 件のレコードが見つかりました。
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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
-
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
Hydrogen Equation of State with SCAN-VV10
- データセット
- 著者
-
;Cesare Cozza (author) (この著者で検索)University of Zurich Department of AstrophysicsKousuke Nakano (author) (この著者で検索)National Institute for Materials Science (NIMS) Center for Basic Research on Materials
;
;Saburo Howard (author) (この著者で検索)University of Zurich Department of Astrophysics;Hao Xie (author) (この著者で検索)University of Zurich Department of Astrophysics;Ravit Helled (author) (この著者で検索)University of Zurich Department of AstrophysicsGuglielmo Mazzola (author) (この著者で検索)University of Zurich Department of Astrophysics
- キーワード
- Hydrogen, Equation of State, DFT, SCAN-VV10
- 刊行年月日
- 更新時刻
- 2026-01-20 08:34:18 +0900
First-principles lattice thermal conductivity calculation for NaLaS2 / I4_1/amd (141) / materials id 675230
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, NaLaS2
- 刊行年月日
- 更新時刻
- 2026-01-24 12:34:39 +0900
First-principles lattice thermal conductivity calculation for Cs4Pb9 / P2_1/c (14) / materials id 574070
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, Cs4Pb9
- 刊行年月日
- 更新時刻
- 2026-01-24 12:34:30 +0900
First-principles lattice thermal conductivity calculation for LiNdSe2 / I4_1/amd (141) / materials id 37605
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, LiNdSe2
- 刊行年月日
- 更新時刻
- 2026-01-24 12:34:24 +0900
First-principles lattice thermal conductivity calculation for NdTeF / P4/nmm (129) / materials id 12621
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, NdTeF
- 刊行年月日
- 更新時刻
- 2026-01-24 12:34:13 +0900
First-principles lattice thermal conductivity calculation for SmZrF7 / P2_1/c (14) / materials id 18506
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, SmZrF7
- 刊行年月日
- 更新時刻
- 2026-01-24 12:35:10 +0900
First-principles lattice thermal conductivity calculation for HfNCl / R-3m (166) / materials id 541911
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, HfNCl
- 刊行年月日
- 更新時刻
- 2026-01-24 12:35:08 +0900
First-principles lattice thermal conductivity calculation for Pr4Se3N2 / C2/c (15) / materials id 31303
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, Pr4Se3N2
- 刊行年月日
- 更新時刻
- 2026-01-24 12:35:05 +0900
First-principles lattice thermal conductivity calculation for Ba3(AsO4)2 / R-3m (166) / materials id 9783
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, Ba3(AsO4)2
- 刊行年月日
- 更新時刻
- 2026-01-24 12:35:03 +0900