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1-s2.0-S092702562600087X-main.pdf
Active learning for predicting the enthalpy of mixing in binary liquids based on ab initio molecular dynamics
ジャーナル論文
著者
Quentin Bizot (author) (この著者で検索)
ORCID ; ORCID SAMURAI ;
Guillaume Deffrennes (author) (この著者で検索)
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
2504.20481v2.pdf
Self-Consistency Error Correction for Accurate Machine Learning Potentials from Variational Monte Carlo
ジャーナル論文
著者
Giacomo Tenti (author) (この著者で検索)
;
Kousuke Nakano (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Michele Casula (author) (この著者で検索)
キーワード
Quantum Monte Carlo, Variational Monte Carlo, Atomic forces
刊行年月日
2025-10-14
更新時刻
2025-12-02 08:30:12 +0900
s41524-026-02033-w.pdf
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
ジャーナル論文
著者
Masato Ohnishi (author) (この著者で検索)
;
Tianqi Deng (author) (この著者で検索)
;
Pol Torres (author) (この著者で検索)
;
Zhihao Xu (author) (この著者で検索)
; ORCID SAMURAI ;
Haoming Zhang (author) (この著者で検索)
;
Wei Nong (author) (この著者で検索)
;
Masatoshi Hanai (author) (この著者で検索)
;
Zeyu Wang (author) (この著者で検索)
;
Michimasa Morita (author) (この著者で検索)
;
Zhiting Tian (author) (この著者で検索)
;
Ming Hu (author) (この著者で検索)
;
Xiulin Ruan (author) (この著者で検索)
;
Ryo Yoshida (author) (この著者で検索)
;
Toyotaro Suzumura (author) (この著者で検索)
;
Lucas Lindsay (author) (この著者で検索)
;
Alan J. H. McGaughey (author) (この著者で検索)
;
Tengfei Luo (author) (この著者で検索)
;
Kedar Hippalgaonkar (author) (この著者で検索)
;
Junichiro Shiomi (author) (この著者で検索)
キーワード
Thermal conductivity, Phonon, First-principles calculation
刊行年月日
2026-04-13
更新時刻
2026-05-12 08:46:56 +0900
Miyamoto_2025.pdf
Construction of Machine Learning Potentials toward the Exploration of Alloy Cluster Catalysts
ジャーナル論文
著者
Kentaro Miyamoto (author) (この著者で検索)
;
Koji Shimizu (author) (この著者で検索)
;
Anh Khoa Augustin Lu (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Satoshi Watanabe (author) (この著者で検索)
キーワード
High entropy alloys, Machine learning, Density functional theory, Catalysts, CO2 reduction reaction
刊行年月日
2025-05-17
更新時刻
2026-05-18 15:04:41 +0900
s41524-025-01851-8 (1).pdf
Networking autonomous material exploration systems through transfer learning
ジャーナル論文
著者
Naoki Yoshida (author) (この著者で検索)
;
Yutaro Iwabuchi (author) (この著者で検索)
;
Yasuhiko Igarashi (author) (この著者で検索)
;
Yuma Iwasaki (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI
キーワード
machine learning
刊行年月日
2025-12-09
更新時刻
2025-12-13 08:30:26 +0900
Prediction of continuous cooling transformation diagram for weld heat affected zone by machine learning.pdf
Prediction of continuous cooling transformation diagram for weld heat affected zone by machine learning
ジャーナル論文
著者
Satoshi Minamoto (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Susumu Tsukamoto (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Tadashi Kasuya (author) (この著者で検索)
;
Makoto Watanabe (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Masahiko Demura (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI
キーワード
CCT
刊行年月日
2022-12-31
更新時刻
2024-01-05 22:13:22 +0900
sciadv.adg3289_sm.pdf
Neuromorphic learning, working memory, and metaplasticity in nanowire networks
ジャーナル論文
著者
Alon Loeffler (author) (この著者で検索)
The University of Sydney School of Physics
;
Adrian Diaz-Alvarez (author) (この著者で検索)
NIMS International Center for Young Scientists (ICYS)
;
Ruomin Zhu (author) (この著者で検索)
The University of Sydney School of Physics
;
Natesh Ganesh (author) (この著者で検索)
National Institute of Standards and Technology (NIMS)
;
James M. Shine (author) (この著者で検索)
The University of Sydney School of Physics
;
Tomonobu Nakayama (author) (この著者で検索)
NIMS International Center for Materials Nanoarchitectonics (MANA)
ORCID SAMURAI ;
Zdenka Kuncic (author) (この著者で検索)
The University of Sydney School of Physics
キーワード
Neuromorphic, Silver nanowire network, neurosynaptic connectivity, emergent dynamics, metaplasticity, learning, memory
刊行年月日
2023-04-21
更新時刻
2024-01-05 22:11:55 +0900
s41524-025-01606-5.pdf
Scaling Law of Sim2Real transfer learning in expanding computational materials databases for real-world predictions
ジャーナル論文
著者
Shunya Minami (author) (この著者で検索)
ORCID ;
Yoshihiro Hayashi (author) (この著者で検索)
ORCID ;
Stephen Wu (author) (この著者で検索)
ORCID ;
Kenji Fukumizu (author) (この著者で検索)
;
Hiroki Sugisawa (author) (この著者で検索)
; ORCID SAMURAI ; ORCID SAMURAI ;
Kazuya Shiratori (author) (この著者で検索)
;
Ryo Yoshida (author) (この著者で検索)
ORCID
キーワード
molecular dynamics simulation, scaling law of simulation- to-real, Sim2Real, transfer learning, PoLyInfo
刊行年月日
2025-05-24
更新時刻
2025-06-13 16:30:25 +0900
ChemPlusChem25_90_e202500342.pdf
Machine Learning—Guided Design of Biomass‐Based Porous Carbon for Aqueous Symmetric Supercapacitors
ジャーナル論文
著者
Manickam Minakshi (author) (この著者で検索)
ORCID ;
Apsana Sharma (author) (この著者で検索)
;
Ferdous Sohel (author) (この著者で検索)
;
Almantas Pivrikas (author) (この著者で検索)
ORCID ;
Pragati A. Shinde (author) (この著者で検索)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI
キーワード
biomass, carbon, dopant, energy, machine learning, storage
刊行年月日
2025-10-09
更新時刻
2025-10-21 16:06:10 +0900
d3cp06298h.pdf
Extraction of local structure differences in silica based on unsupervised learning
ジャーナル論文
著者
Anh Khoa Augustin Lu (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Jianbo Lin (author) (この著者で検索)
National Institute for Materials Science
ORCID ;
Yasunori Futamura (author) (この著者で検索)
;
Tetsuya Sakurai (author) (この著者で検索)
;
Ryo Tamura (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Tsuyoshi Miyazaki (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI
キーワード
silica, unsupervised learning, Machine Learning, Molecular Dynamics(MD), Density Functional Theory (DFT), local structure analysis
刊行年月日
2024-03-28
更新時刻
2024-08-20 08:30:29 +0900