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Dataset
Generating 3D voxelized architected materials using 3D conditional generative adversarial network
Software
Creator
Xiaoyang Zheng (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID ;
Ikumu Watanabe (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Deep learning; Generative adversarial network; Inverse design; 3D shape; Microstructure; Mechanical metamaterial
Date published
2023-12-31
Updated at
2024-01-05 22:11:09 +0900

readme.pdf
Tutorial for conditional generative adversarial network
Software
Creator
Xiaoyang Zheng (author) (Search by this author)
National Institute for Materials Science
ORCID ;
Ta-Te Chen (author) (Search by this author)
;
Xiaofeng Guo (author) (Search by this author)
;
Sadaki Samitsu (author) (Search by this author)
;
Ikumu Watanabe (author) (Search by this author)
Keyword
Deep learning; Generative adversarial network; Inverse design; Microstructure; Mechanical metamaterial
Date published
2021-10-18
Updated at
2024-01-05 22:11:25 +0900

Dataset
Ptychographical reconstruction code by Wigner Distribution Deconvolution (WDD)
Software
Creator
Nakazawa Katsuaki (author) (Search by this author)
ICYS, National Institute for Materials Science
ORCID SAMURAI ;
Mitsuishi Kazutaka (author) (Search by this author)
Research Center for Advanced Measurement and Characterization, National Institute for Materials Science
ORCID SAMURAI
Keyword
ptychography, 4DSTEM, electron microscopy, Wigner distribution deconvolution, aberration correction
Date published
2022-11-30
Updated at
2023-02-03 17:43:11 +0900

jpscp.45.011046.pdf
Local- and Intermediate-Range Atomic Structures of (Ga 2 S 3 ) 0.25 (GeS 2 ) 0.75 Glass: Complementary Use of X-Rays and Neutrons
Dataset
Creator
Shinya Hosokawa (author) (Search by this author)
;
Yohei Onodera (author) (Search by this author)
;
László Pusztai (author) (Search by this author)
;
Jens Rüdiger Stellhorn (author) (Search by this author)
;
Hiroo Tajiri (author) (Search by this author)
;
Kazutaka Ikeda (author) (Search by this author)
;
Toshiya Otomo (author) (Search by this author)
Keyword
Neutron diffraction, Anomalous X-ray scattering, Reverse Monte Carlo modeling, Glass structure
Date published
2026-06-12
Updated at
2026-06-17 10:24:46 +0900

Dataset
First‑Principles Optical Dielectric Properties of NiAl (Space Group 221)
Dataset
Creator
Thien Duc Ngo (author) (Search by this author)
Research Center for Materials Nanoarchitectonics, National Institute for Materials Science
ORCID SAMURAI ;
Hai Dang Tran (author) (Search by this author)
Research Center for Materials Nanoarchitectonics, National Institute for Materials Science
;
Toan Phuoc Tran (author) (Search by this author)
Research Center for Materials Nanoarchitectonics, National Institute for Materials Science
;
Hiroshi Harada (author) (Search by this author)
National Institute for Materials Science
;
Tadaaki Nagao (author) (Search by this author)
Research Center for Materials Nanoarchitectonics, National Institute for Materials Science
ORCID SAMURAI
Keyword
high-temperature superalloys, intermetallics, nickel–aluminum, thermal emitters, thermophotonics
Date published
2025-03-11
Updated at
2026-06-12 08:30:20 +0900

Dataset
Evaluation of spin mixing conductance in Co2FeGa0.5Ge0.5/Pt bilayer and the effect of ultrathin Cu, Ni, Ru, Ta, or Cr insertion layers
Dataset
Creator
Madhav Mohan Bhat (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
;
Hirofumi Suto (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
ORCID SAMURAI ;
Taisuke T. Sasaki (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
;
Alagarsamy Perumal (author) (Search by this author)
Indian Institute of Technology (IIT) Guwahati
;
Ananthakrishnan Srinivasan (author) (Search by this author)
Indian Institute of Technology (IIT) Guwahati
;
Yuya Sakuraba (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Spin pumping, Magnetization dynamics, Spin current, Ferromagnetic resonance, Half-metals, Heusler alloy, Magnetic thin films
Date published
Updated at
2026-04-30 14:44:02 +0900

Dataset
Benchmark Dataset used in the paper "Fast Evaluation of Unbiased Atomic Forces in ab initio Variational Monte Carlo via the Lagrangian Technique"
Dataset
Creator
Kosuke Nakano (author) (Search by this author)
Center for Basic Research on Materials (CBRM), National Institute for Materials Science (NIMS)
ORCID SAMURAI ;
Stefano Battaglia (author) (Search by this author)
Department of Chemistry, University of Zurich (UZH)
;
Jürg Hutter (author) (Search by this author)
Department of Chemistry, University of Zurich (UZH)
Keyword
Variational Monte Carlo, Atomic forces, rMD17
Date published
Updated at
2026-01-28 08:30:04 +0900

Dataset
Hydrogen Equation of State with SCAN-VV10
Dataset
Creator
Cesare Cozza (author) (Search by this author)
Department of Astrophysics, University of Zurich
;
Kousuke Nakano (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science (NIMS)
ORCID SAMURAI ;
Saburo Howard (author) (Search by this author)
Department of Astrophysics, University of Zurich
;
Hao Xie (author) (Search by this author)
Department of Astrophysics, University of Zurich
;
Ravit Helled (author) (Search by this author)
Department of Astrophysics, University of Zurich
;
Guglielmo Mazzola (author) (Search by this author)
Department of Astrophysics, University of Zurich
Keyword
Hydrogen, Equation of State, DFT, SCAN-VV10
Date published
Updated at
2026-01-20 08:34:18 +0900

band_pdos.png
First-principles lattice thermal conductivity calculation for NaBO2 / R-3c (167) / materials id 3889
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Lattice thermal conductivity, NaBO2
Date published
Updated at
2026-01-24 12:34:49 +0900

band_pdos.png
First-principles lattice thermal conductivity calculation for NaLaS2 / I4_1/amd (141) / materials id 675230
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Lattice thermal conductivity, NaLaS2
Date published
Updated at
2026-01-24 12:34:39 +0900