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computational-single-atom-catalyst-database-empowers-the-machine-learning-assisted-design-of-high-performance-catalysts (2).pdf
Computational Single-Atom Catalyst Database Empowers the Machine Learning Assisted Design of High-Performance Catalysts
Journal article
Creator
Mingye Huang (author) (Search by this author)
;
Ruiyang Shi (author) (Search by this author)
;
Heng Liu (author) (Search by this author)
;
Wenjun Ding (author) (Search by this author)
;
Jiahang Fan (author) (Search by this author)
;
Binghui Zhou (author) (Search by this author)
;
Bo Da (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Zhengyang Gao (author) (Search by this author)
;
Hao Li (author) (Search by this author)
;
Weijie Yang (author) (Search by this author)
Keyword
High-Performance Catalysts
Date published
2025-03-13
Updated at
2025-12-19 16:30:28 +0900
Bayesian_HOR_Manuscript_ver49.docx
Machine Learning-Assisted Development of Platinum-Free RuNiCo Nanocages for Electrocatalytic Hydrogen Oxidation Reaction in Acidic Media
Journal article
Creator
Colin A. Tadgell (author) (Search by this author)
;
Masaru Kato (author) (Search by this author)
;
Sae Dieb (author) (Search by this author)
National Institute for Materials Science
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Keitaro Sodeyama (author) (Search by this author)
National Institute for Materials Science
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Takahito Hoshi (author) (Search by this author)
;
Koshiro Suzuki (author) (Search by this author)
;
Bohao Du (author) (Search by this author)
;
Takeshi Watanabe (author) (Search by this author)
;
Ichizo Yagi (author) (Search by this author)
Keyword
Electrocatalysts, Hydrogen oxidation reaction, Bayesian optimization, Polymer electrolyte fuel cell
Date published
2025-10-13
Updated at
2026-04-30 12:01:11 +0900
Improvement of Oxidation Resistance for Ni-Base Single Crystal Superalloy TMS-238 by Suppression of Sb Segregation at Oxide-Substrate Interface Using CaO.pdf
Improvement of Oxidation Resistance for Ni-Base Single Crystal Superalloy TMS-238 by Suppression of Sb Segregation at Oxide/Substrate Interface Using CaO
Journal article
Creator
Hirotoshi Maezawa (author) (Search by this author)
;
Chihiro Tabata (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Yuji Takata (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Jun Uzuhashi (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Tadakatsu Ohkubo (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Tadaharu Yokokawa (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Hiroshi Harada (author) (Search by this author)
National Institute for Materials Science
;
Kyoko Kawagishi (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Shinsuke Suzuki (author) (Search by this author)
Keyword
Ni-base superalloy
Date published
2023-11-07
Updated at
2024-11-07 16:30:28 +0900
Advanced Materials - 2024 - Stier - Materials Acceleration Platforms MAPs Accelerating Materials Research and.pdf
Materials Acceleration Platforms (MAPs): Accelerating Materials Research and Development to Meet Urgent Societal Challenges
Journal article
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Simon P. Stier (author) (Search by this author)
ORCID ;
Christoph Kreisbeck (author) (Search by this author)
;
Holger Ihssen (author) (Search by this author)
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Matthias Albert Popp (author) (Search by this author)
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Jens Hauch (author) (Search by this author)
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Kourosh Malek (author) (Search by this author)
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Marine Reynaud (author) (Search by this author)
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T.P.M. Goumans (author) (Search by this author)
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Johan Carlsson (author) (Search by this author)
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Ilian Todorov (author) (Search by this author)
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Lukas Gold (author) (Search by this author)
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Andreas Räder (author) (Search by this author)
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Wolfgang Wenzel (author) (Search by this author)
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Shahbaz Tareq Bandesha (author) (Search by this author)
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Philippe Jacques (author) (Search by this author)
;
Francisco Garcia‐Moreno (author) (Search by this author)
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Oier Arcelus (author) (Search by this author)
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Pascal Friederich (author) (Search by this author)
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Simon Clark (author) (Search by this author)
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Mario Maglione (author) (Search by this author)
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Anssi Laukkanen (author) (Search by this author)
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Ivano Eligio Castelli (author) (Search by this author)
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Javier Carrasco (author) (Search by this author)
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Montserrat Casas Cabanas (author) (Search by this author)
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Helge Sören Stein (author) (Search by this author)
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Ozlem Ozcan (author) (Search by this author)
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David Elbert (author) (Search by this author)
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Karsten Reuter (author) (Search by this author)
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Christoph Scheurer (author) (Search by this author)
; ORCID SAMURAI ;
Sang Soo Han (author) (Search by this author)
;
Tejs Vegge (author) (Search by this author)
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Sawako Nakamae (author) (Search by this author)
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Monica Fabrizio (author) (Search by this author)
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Mark Kozdras (author) (Search by this author)
ORCID
Keyword
advanced materials, artificial intelligence, autonomous labs, materials acceleration platforms, societal challenges
Date published
2024-09-06
Updated at
2024-11-11 16:30:34 +0900
1-s2.0-S0925838824012544-main.pdf
Severe plastic deformation for producing superfunctional ultrafine-grained and heterostructured materials: An interdisciplinary review
Journal article
Creator
Kaveh Edalati (author) (Search by this author)
;
Anwar Q. Ahmed (author) (Search by this author)
;
Saeid Akrami (author) (Search by this author)
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Kei Ameyama (author) (Search by this author)
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Valery Aptukov (author) (Search by this author)
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Rashid N. Asfandiyarov (author) (Search by this author)
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Maki Ashida (author) (Search by this author)
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Vasily Astanin (author) (Search by this author)
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Andrea Bachmaier (author) (Search by this author)
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Victor Beloshenko (author) (Search by this author)
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Elena V. Bobruk (author) (Search by this author)
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Krzysztof Bryła (author) (Search by this author)
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José María Cabrera (author) (Search by this author)
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Amanda P. Carvalho (author) (Search by this author)
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Nguyen Q. Chinh (author) (Search by this author)
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In-Chul Choi (author) (Search by this author)
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Robert Chulist (author) (Search by this author)
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Jorge M. Cubero-Sesin (author) (Search by this author)
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Gregory Davdian (author) (Search by this author)
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Muhammet Demirtas (author) (Search by this author)
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Sergiy Divinski (author) (Search by this author)
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Karsten Durst (author) (Search by this author)
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Jiri Dvorak (author) (Search by this author)
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Parisa Edalati (author) (Search by this author)
; ORCID SAMURAI ;
Nariman A. Enikeev (author) (Search by this author)
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Ghader Faraji (author) (Search by this author)
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Roberto B. Figueiredo (author) (Search by this author)
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Ricardo Floriano (author) (Search by this author)
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Marjan Fouladvind (author) (Search by this author)
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Daniel Fruchart (author) (Search by this author)
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Masayoshi Fuji (author) (Search by this author)
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Hiroshi Fujiwara (author) (Search by this author)
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Marcell Gajdics (author) (Search by this author)
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Diana Gheorghe (author) (Search by this author)
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Łukasz Gondek (author) (Search by this author)
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Joaquín E. González-Hernández (author) (Search by this author)
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Alena Gornakova (author) (Search by this author)
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Thierry Grosdidier (author) (Search by this author)
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Jenő Gubicza (author) (Search by this author)
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Dmitry Gunderov (author) (Search by this author)
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Liqing He (author) (Search by this author)
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Oscar Fabian Higuera (author) (Search by this author)
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Shoichi Hirosawa (author) (Search by this author)
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Anton Hohenwarter (author) (Search by this author)
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Zenji Horita (author) (Search by this author)
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Jelena Horky (author) (Search by this author)
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Yi Huang (author) (Search by this author)
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Jacques Huot (author) (Search by this author)
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Yoshifumi Ikoma (author) (Search by this author)
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Tatsumi Ishihara (author) (Search by this author)
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Yulia Ivanisenko (author) (Search by this author)
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Jae-il Jang (author) (Search by this author)
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Alberto M. Jorge (author) (Search by this author)
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Mie Kawabata-Ota (author) (Search by this author)
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Megumi Kawasaki (author) (Search by this author)
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Tarek Khelfa (author) (Search by this author)
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Junya Kobayashi (author) (Search by this author)
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Lembit Kommel (author) (Search by this author)
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Anna Korneva (author) (Search by this author)
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Petr Kral (author) (Search by this author)
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Natalia Kudriashova (author) (Search by this author)
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Shigeru Kuramoto (author) (Search by this author)
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Terence G. Langdon (author) (Search by this author)
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Dong-Hyun Lee (author) (Search by this author)
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Valery I. Levitas (author) (Search by this author)
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Cong Li (author) (Search by this author)
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Hai-Wen Li (author) (Search by this author)
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Yongtao Li (author) (Search by this author)
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Zheng Li (author) (Search by this author)
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Huai-Jun Lin (author) (Search by this author)
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Klaus-Dieter Liss (author) (Search by this author)
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Ying Liu (author) (Search by this author)
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Diana Maritza Marulanda Cardona (author) (Search by this author)
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Kenji Matsuda (author) (Search by this author)
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Andrey Mazilkin (author) (Search by this author)
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Yoji Mine (author) (Search by this author)
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Hiroyuki Miyamoto (author) (Search by this author)
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Suk-Chun Moon (author) (Search by this author)
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Timo Müller (author) (Search by this author)
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Jairo Alberto Muñoz (author) (Search by this author)
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Maxim Yu. Murashkin (author) (Search by this author)
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Muhammad Naeem (author) (Search by this author)
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Marc Novelli (author) (Search by this author)
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Dániel Olasz (author) (Search by this author)
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Reinhard Pippan (author) (Search by this author)
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Vladimir V. Popov (author) (Search by this author)
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Elena N. Popova (author) (Search by this author)
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Gencaga Purcek (author) (Search by this author)
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Patricia de Rango (author) (Search by this author)
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Oliver Renk (author) (Search by this author)
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Delphine Retraint (author) (Search by this author)
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Ádám Révész (author) (Search by this author)
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Virginie Roche (author) (Search by this author)
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Pablo Rodriguez-Calvillo (author) (Search by this author)
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Liliana Romero-Resendiz (author) (Search by this author)
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Xavier Sauvage (author) (Search by this author)
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Takahiro Sawaguchi (author) (Search by this author)
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Hadi Sena (author) (Search by this author)
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Hamed Shahmir (author) (Search by this author)
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Xiaobin Shi (author) (Search by this author)
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Vaclav Sklenicka (author) (Search by this author)
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Werner Skrotzki (author) (Search by this author)
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Nataliya Skryabina (author) (Search by this author)
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Franziska Staab (author) (Search by this author)
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Boris Straumal (author) (Search by this author)
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Zhidan Sun (author) (Search by this author)
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Maciej Szczerba (author) (Search by this author)
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Yoichi Takizawa (author) (Search by this author)
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Yongpeng Tang (author) (Search by this author)
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Ruslan Z. Valiev (author) (Search by this author)
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Alina Vozniak (author) (Search by this author)
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Andrei Voznyak (author) (Search by this author)
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Bo Wang (author) (Search by this author)
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Jing Tao Wang (author) (Search by this author)
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Gerhard Wilde (author) (Search by this author)
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Fan Zhang (author) (Search by this author)
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Meng Zhang (author) (Search by this author)
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Peng Zhang (author) (Search by this author)
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Jianqiang Zhou (author) (Search by this author)
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Xinkun Zhu (author) (Search by this author)
;
Yuntian T. Zhu (author) (Search by this author)
Keyword
Severe plastic deformation, Nanostructured materials, Ultrafine grained materials, Gradient-structured materials, High-pressure torsion
Date published
2024-05-08
Updated at
2024-11-02 16:30:23 +0900
2603.14155v2.pdf
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project
Journal article
Creator
Qiming Sun (author) (Search by this author)
ORCID ;
Matthew R. Hermes (author) (Search by this author)
ORCID ;
Xiaojie Wu (author) (Search by this author)
ORCID ;
Huanchen Zhai (author) (Search by this author)
ORCID ;
Xing Zhang (author) (Search by this author)
ORCID ;
Abdelrahman M. Ahmed (author) (Search by this author)
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Juan José Aucar (author) (Search by this author)
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Oliver J. Backhouse (author) (Search by this author)
;
Samragni Banerjee (author) (Search by this author)
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Peng Bao (author) (Search by this author)
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Nikolay A. Bogdanov (author) (Search by this author)
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Kyle Bystrom (author) (Search by this author)
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Frédéric Chapoton (author) (Search by this author)
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Ning-Yuan Chen (author) (Search by this author)
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Ivan Yu. Chernyshov (author) (Search by this author)
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Helen S. Clifford (author) (Search by this author)
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Sander Cohen-Janes (author) (Search by this author)
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Zhi-Hao Cui (author) (Search by this author)
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Yann D. Damour (author) (Search by this author)
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Nike Dattani (author) (Search by this author)
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Linus Bjarne Dittmer (author) (Search by this author)
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Sebastian Ehlert (author) (Search by this author)
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Janus Juul Eriksen (author) (Search by this author)
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Francesco A. Evangelista (author) (Search by this author)
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Simon A. Ewing (author) (Search by this author)
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Ardavan Farahvash (author) (Search by this author)
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Kevin Focke (author) (Search by this author)
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Yang Gao (author) (Search by this author)
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Kevin E. Gasperich (author) (Search by this author)
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Nathan Gillispie (author) (Search by this author)
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Jonas Greiner (author) (Search by this author)
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Matthew R. Hennefarth (author) (Search by this author)
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Jan Hermann (author) (Search by this author)
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Christopher Hillenbrand (author) (Search by this author)
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Joonatan Huhtasalo (author) (Search by this author)
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Basil Ibrahim (author) (Search by this author)
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Bhavnesh Jangid (author) (Search by this author)
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Alireza Nejati Javaremi (author) (Search by this author)
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Andrew J. Jenkins (author) (Search by this author)
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Yu Jin (author) (Search by this author)
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Daniel S. King (author) (Search by this author)
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Derk Pieter Kooi (author) (Search by this author)
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Jo S. Kurian (author) (Search by this author)
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Henrik R. Larsson (author) (Search by this author)
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Bryan Tak Gwong Lau (author) (Search by this author)
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Seunghoon Lee (author) (Search by this author)
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Susi Lehtola (author) (Search by this author)
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Chenghan Li (author) (Search by this author)
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Hao Li (author) (Search by this author)
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Jiachen Li (author) (Search by this author)
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Rui Li (author) (Search by this author)
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Shuhang Li (author) (Search by this author)
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Aleksandr O. Lykhin (author) (Search by this author)
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Ankit Mahajan (author) (Search by this author)
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Nastasia Mauger (author) (Search by this author)
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Pablo del Mazo-Sevillano (author) (Search by this author)
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Jonathan Moussa (author) (Search by this author)
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Verena A. Neufeld (author) (Search by this author)
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Linqing Peng (author) (Search by this author)
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Hung Q. Pham (author) (Search by this author)
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Peter Pinski (author) (Search by this author)
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Pavel Pokhilko (author) (Search by this author)
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Zhichen Pu (author) (Search by this author)
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Yubing Qian (author) (Search by this author)
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Stephen Jon Quiton (author) (Search by this author)
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Wanja T. Schulze (author) (Search by this author)
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Thais R. Scott (author) (Search by this author)
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Aniruddha Seal (author) (Search by this author)
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James D. Serna (author) (Search by this author)
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James E. T. Smith (author) (Search by this author)
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Kori E. Smyser (author) (Search by this author)
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Terrence Stahl (author) (Search by this author)
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Chong Sun (author) (Search by this author)
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Kevin J. Sung (author) (Search by this author)
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Egor Trushin (author) (Search by this author)
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Shiv Upadhyay (author) (Search by this author)
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Ethan A. Vo (author) (Search by this author)
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Thijs Vogels (author) (Search by this author)
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Shirong Wang (author) (Search by this author)
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Tai Wang (author) (Search by this author)
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Xiao Wang (author) (Search by this author)
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Xubo Wang (author) (Search by this author)
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Yuanheng Wang (author) (Search by this author)
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Mark Williamson (author) (Search by this author)
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Junjie Yang (author) (Search by this author)
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Hong-Zhou Ye (author) (Search by this author)
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Chia-Nan Yeh (author) (Search by this author)
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Haiyang Yu (author) (Search by this author)
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Jincheng Yu (author) (Search by this author)
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Victor Wen-zhe Yu (author) (Search by this author)
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Chaoqun Zhang (author) (Search by this author)
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Dayou Zhang (author) (Search by this author)
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Yichi Zhang (author) (Search by this author)
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Zijun Zhao (author) (Search by this author)
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Zehao Zhou (author) (Search by this author)
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Andrew J. Zhu (author) (Search by this author)
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Tianyu Zhu (author) (Search by this author)
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Timothy C. Berkelbach (author) (Search by this author)
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Laura Gagliardi (author) (Search by this author)
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Sandeep Sharma (author) (Search by this author)
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Alexander Yu. Sokolov (author) (Search by this author)
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Garnet Kin-Lic Chan (author) (Search by this author)
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Keyword
qunatum chemistry
Date published
2026-09-14
Updated at
2026-09-11 11:25:23 +0900
2024_ISIJ_Bain unit.pdf
Effect of Bain Unit Size on Low-temperature Fracture Toughness in Medium-carbon Martensitic and Bainitic Steels
Journal article
Creator
Akinobu Shibata (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Tomoyuki Katsuno (author) (Search by this author)
;
Mizuki Tsuboi (author) (Search by this author)
;
Nobuhiro Tsuji (author) (Search by this author)
Keyword
low-temperature embrittlement, fracture toughness, cleavage fracture, bainite, martensite
Date published
2024-01-30
Updated at
2024-08-20 08:30:40 +0900
s41526-025-00520-w.pdf
Glass-forming ability of La2O3–Nb2O5 evaluated via thermophysical properties under microgravity
Journal article
Creator
Atsunobu Masuno (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Chihiro Koyama (author) (Search by this author)
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Shinji Kohara (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Shunta Sasaki (author) (Search by this author)
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Satoshi Izumi (author) (Search by this author)
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Tomoharu Matsuya (author) (Search by this author)
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Yuki Mikami (author) (Search by this author)
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Kenta Yoshida (author) (Search by this author)
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Hirotaka Kobayashi (author) (Search by this author)
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Yuki Watanabe (author) (Search by this author)
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Akitoshi Mizuno (author) (Search by this author)
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Hirohisa Oda (author) (Search by this author)
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Yuta Shuseki (author) (Search by this author)
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Manabu Watanabe (author) (Search by this author)
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Junpei T. Okada (author) (Search by this author)
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Takehiko Ishikawa (author) (Search by this author)
Keyword
glass, liquid, viscosity, microgravity
Date published
2025-08-25
Updated at
2025-11-10 16:30:38 +0900
Fatigue Fract Eng Mat Struct - 2024 - Oguma - Effects of mean stress on the fatigue properties of core‐in‐sheath‐type (2).pdf
Effects of mean stress on the fatigue properties of core‐in‐sheath‐type carbon/glass hybrid thermoplastic composite rods: Experimental investigation and practical predictive method
Journal article
Creator
Hiroyuki Oguma (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Kimiyoshi Naito (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI
Keyword
carbon/glass hybrid, composite, fatigue properties, mean stress, strength estimation
Date published
2024-05-25
Updated at
2024-09-04 12:30:16 +0900
Ogawa (2026)_AM.pdf
Refining hydrogen-dislocation interaction model for thermally activated plasticity in Fe-Cr-Ni austenitic steels: analyzing stress-dependent activation volume
Journal article
Creator
ORCID SAMURAI ; ORCID SAMURAI
Keyword
Austenitic steel, Hydrogen, Dislocations, Thamal activation
Date published
2026-01-03
Updated at
2026-01-14 13:17:53 +0900
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