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124113_1_5.0311160.pdf
Fast evaluation of unbiased atomic forces in ab initio variational Monte Carlo via the Lagrangian technique
論文
著者
Kousuke Nakano SAMURAI ORCID ; Stefano Battaglia ; Jürg Hutter
キーワード
ab initio Quantum Monte Carlo
刊行年月日
2026-03-28
更新時刻
2026-04-02 10:26:04 +0900
Atomic-scale observation of native oxides on c- and m-faced GaN surfaces.pdf
Atomic-scale observation of native oxides on c - and m -faced GaN surfaces
論文
著者
Jun Uzuhashi SAMURAI ORCID ; Yoshihiro Irokawa SAMURAI ORCID ; Toshihide Nabatame SAMURAI ORCID ; Yasuo Koide ; Tadakatsu Ohkubo SAMURAI ORCID
キーワード
transmission electron microscopy, gallium nitride
刊行年月日
2026-04-01
更新時刻
2026-04-02 10:10:21 +0900
Yamasaki_amphoteric-behavior-of-hydrogen-in-lanthanum-oxyhydrides-correlation-with-electrochemical-properties.pdf
Amphoteric Behavior of Hydrogen in Lanthanum Oxyhydrides: Correlation with Electrochemical Properties
論文
著者
Tomoyuki Yamasaki ORCID ; Keiga Fukui ORCID ; Soshi Iimura SAMURAI ORCID ; Shunsuke Tsuda SAMURAI ORCID ; Hiroshi Mizoguchi SAMURAI ORCID ; Takahisa Omata ORCID ; Hideo Hosono SAMURAI ORCID
キーワード
hydrogen, electrochemistry, electronic structure
刊行年月日
2026-03-18
更新時刻
2026-04-02 09:38:22 +0900
Liu_JCSJ_SI.pdf
Tracing nitridation reaction toward efficient production of oxynitride glasses as hosts for bright luminescence centers
論文
著者
Xun Liu ; Takeo Ohsawa SAMURAI ORCID ; Noriko Saito SAMURAI ORCID ; Kohsei Takahashi SAMURAI ORCID ; Takashi Takeda SAMURAI ORCID ; Kenzo Deguchi ; Shinobu Ohki SAMURAI ORCID ; Tetsuo Kishi ; Tetsuji Yano ; Hiroyo Segawa SAMURAI ORCID ; Naoki Ohashi SAMURAI ORCID
キーワード
Oxynitride glass,, Nitridation, Ammonolysis, Sol–gel method, Europium, Luminescence
刊行年月日
2026-03-01
更新時刻
2026-04-02 09:43:38 +0900
d6dt00131a1.pdf
Synthesis of Mn-bearing layered perovskite-type niobate and its delaminated nanosheet
論文
著者
Yasuo Ebina SAMURAI ORCID ; Yuichi Michiue SAMURAI ORCID ; Nobuyuki Sakai SAMURAI ORCID ; Takayoshi Sasaki SAMURAI ORCID
キーワード
layered material, nanosheet
刊行年月日
2026-03-09
更新時刻
2026-04-02 09:29:58 +0900
67_MT-M2025161.pdf
Phenomenology and Mechanisms of Hydrogen–Induced Solid Solution–Hardening in Fe–Cr–Ni Austenitic Steels
論文
著者
Yuhei Ogawa SAMURAI ORCID ; Osamu Takakuwa ; Junichiro Moriyama ; Haruki Nishida ; Kaneaki Tsuzaki ; Akinobu Shibata SAMURAI ORCID
キーワード
Austenitic steel, Hydrogen, Solid solution-hardening
刊行年月日
2026-04-01
更新時刻
2026-04-01 15:17:12 +0900
d5dd00486a.pdf
Bayesian diversity control for batch-based phase diagram determination
論文
著者
Peiheng Zou ; Ryo Tamura SAMURAI ORCID ; Koji Tsuda SAMURAI ORCID
キーワード
phase diagram, machine learning
刊行年月日
2026-02-16
更新時刻
2026-04-01 14:33:21 +0900
s41524-026-01966-6 (2).pdf
aLLoyM: a large language model for alloy phase diagram prediction
論文
著者
Yuna Oikawa ; Guillaume Deffrennes ; Rintaro Shimayoshi ; Taichi Abe SAMURAI ORCID ; Ryo Tamura SAMURAI ORCID ; Koji Tsuda
キーワード
LLM, phase diagram
刊行年月日
2026-01-22
更新時刻
2026-04-01 13:56:07 +0900
1-s2.0-S092702562600087X-main.pdf
Active learning for predicting the enthalpy of mixing in binary liquids based on ab initio molecular dynamics
論文
著者
Quentin Bizot ORCID ; Ryo Tamura SAMURAI ORCID ; Guillaume Deffrennes ORCID
キーワード
CALPHAD, Machine learning
刊行年月日
2026-02-07
更新時刻
2026-04-01 13:44:57 +0900
Chem. Sci., 2026, 17, 5934.pdf
Luminescent core-isolated solvent-free liquids as a soft material platform for optical gas sensing
論文
著者
Shinsuke Ishihara SAMURAI ORCID ; Avijit Ghosh ORCID ; Tatsuya Mori ; Mandeep K. Chahal ; Daniel T. Payne ORCID ; Akinori Saeki ORCID ; Tsuyoshi Hyakutake ; Takashi Nakanishi SAMURAI ORCID
キーワード
alkyl-π liquids, optical gas sensing, phosphorescence, Pt(II)-porphyrin, oxygen sensing, ratiometric sensing
刊行年月日
2026-01-22
更新時刻
2026-04-01 13:35:44 +0900