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TREXIO: A file format and library for quantum chemistry
- ジャーナル論文
- 著者
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;Evgeny Posenitskiy (author) (この著者で検索);Vijay Gopal Chilkuri (author) (この著者で検索);Abdallah Ammar (author) (この著者で検索);Michał Hapka (author) (この著者で検索);Katarzyna Pernal (author) (この著者で検索);Ravindra Shinde (author) (この著者で検索);Edgar Josué Landinez Borda (author) (この著者で検索);Claudia Filippi (author) (この著者で検索)Kosuke Nakano (author) (この著者で検索)National Institute for Materials Science
;
;Otto Kohulák (author) (この著者で検索);Sandro Sorella (author) (この著者で検索);Pablo de Oliveira Castro (author) (この著者で検索);William Jalby (author) (この著者で検索);Pablo López Ríos (author) (この著者で検索);Ali Alavi (author) (この著者で検索)Anthony Scemama (author) (この著者で検索) - キーワード
- quantum chemistry, data, interoperability
- 刊行年月日
- 2023-05-07
- 更新時刻
- 2024-12-18 08:30:57 +0900
Materials Acceleration Platforms (MAPs): Accelerating Materials Research and Development to Meet Urgent Societal Challenges
- ジャーナル論文
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Simon P. Stier (author) (この著者で検索)
https://orcid.org/0000-0003-0410-3616
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;Christoph Kreisbeck (author) (この著者で検索);Holger Ihssen (author) (この著者で検索)Matthias Albert Popp (author) (この著者で検索)
https://orcid.org/0000-0001-7620-1245
(unauthenticated)
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Jens Hauch (author) (この著者で検索)
https://orcid.org/0000-0003-4384-2112
(unauthenticated)
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Kourosh Malek (author) (この著者で検索)
https://orcid.org/0000-0002-3021-0813
(unauthenticated)
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Marine Reynaud (author) (この著者で検索)
https://orcid.org/0000-0002-0156-8701
(unauthenticated)
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;T.P.M. Goumans (author) (この著者で検索)Johan Carlsson (author) (この著者で検索)
https://orcid.org/0000-0002-1596-0923
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;Ilian Todorov (author) (この著者で検索)Lukas Gold (author) (この著者で検索)
https://orcid.org/0000-0001-7444-2969
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Andreas Räder (author) (この著者で検索)
https://orcid.org/0000-0002-2673-0832
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https://orcid.org/0000-0001-9487-4689
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https://orcid.org/0000-0002-9365-8703
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;Philippe Jacques (author) (この著者で検索)Francisco Garcia‐Moreno (author) (この著者で検索)
https://orcid.org/0000-0001-6114-0240
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https://orcid.org/0000-0001-9075-3820
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https://orcid.org/0000-0003-4465-1465
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https://orcid.org/0000-0002-8758-6109
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https://orcid.org/0000-0002-5747-8879
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https://orcid.org/0000-0002-2308-744X
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https://orcid.org/0000-0002-9298-2333
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https://orcid.org/0000-0002-3461-0232
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https://orcid.org/0000-0003-1965-7996
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https://orcid.org/0000-0002-2292-180X
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https://orcid.org/0000-0001-8473-8659
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;Christoph Scheurer (author) (この著者で検索)Masahiko Demura (author) (この著者で検索)
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;Sang Soo Han (author) (この著者で検索)Tejs Vegge (author) (この著者で検索)
https://orcid.org/0000-0002-1484-0284
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https://orcid.org/0000-0001-9174-3165
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https://orcid.org/0000-0003-2257-8375
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;
Mark Kozdras (author) (この著者で検索)
https://orcid.org/0000-0001-5113-3047
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- キーワード
- advanced materials, artificial intelligence, autonomous labs, materials acceleration platforms, societal challenges
- 刊行年月日
- 2024-09-06
- 更新時刻
- 2024-11-11 16:30:34 +0900
Severe plastic deformation for producing superfunctional ultrafine-grained and heterostructured materials: An interdisciplinary review
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- 著者
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;Kaveh Edalati (author) (この著者で検索);Anwar Q. Ahmed (author) (この著者で検索);Saeid Akrami (author) (この著者で検索);Kei Ameyama (author) (この著者で検索);Valery Aptukov (author) (この著者で検索);Rashid N. Asfandiyarov (author) (この著者で検索);Maki Ashida (author) (この著者で検索);Vasily Astanin (author) (この著者で検索);Andrea Bachmaier (author) (この著者で検索);Victor Beloshenko (author) (この著者で検索);Elena V. Bobruk (author) (この著者で検索);Krzysztof Bryła (author) (この著者で検索);José María Cabrera (author) (この著者で検索);Amanda P. Carvalho (author) (この著者で検索);Nguyen Q. Chinh (author) (この著者で検索);In-Chul Choi (author) (この著者で検索);Robert Chulist (author) (この著者で検索);Jorge M. Cubero-Sesin (author) (この著者で検索);Gregory Davdian (author) (この著者で検索);Muhammet Demirtas (author) (この著者で検索);Sergiy Divinski (author) (この著者で検索);Karsten Durst (author) (この著者で検索);Jiri Dvorak (author) (この著者で検索);Parisa Edalati (author) (この著者で検索)Satoshi Emura (author) (この著者で検索)
;
;Nariman A. Enikeev (author) (この著者で検索);Ghader Faraji (author) (この著者で検索);Roberto B. Figueiredo (author) (この著者で検索);Ricardo Floriano (author) (この著者で検索);Marjan Fouladvind (author) (この著者で検索);Daniel Fruchart (author) (この著者で検索);Masayoshi Fuji (author) (この著者で検索);Hiroshi Fujiwara (author) (この著者で検索);Marcell Gajdics (author) (この著者で検索);Diana Gheorghe (author) (この著者で検索);Łukasz Gondek (author) (この著者で検索);Joaquín E. González-Hernández (author) (この著者で検索);Alena Gornakova (author) (この著者で検索);Thierry Grosdidier (author) (この著者で検索);Jenő Gubicza (author) (この著者で検索);Dmitry Gunderov (author) (この著者で検索);Liqing He (author) (この著者で検索);Oscar Fabian Higuera (author) (この著者で検索);Shoichi Hirosawa (author) (この著者で検索);Anton Hohenwarter (author) (この著者で検索);Zenji Horita (author) (この著者で検索);Jelena Horky (author) (この著者で検索);Yi Huang (author) (この著者で検索);Jacques Huot (author) (この著者で検索);Yoshifumi Ikoma (author) (この著者で検索);Tatsumi Ishihara (author) (この著者で検索);Yulia Ivanisenko (author) (この著者で検索);Jae-il Jang (author) (この著者で検索);Alberto M. Jorge (author) (この著者で検索);Mie Kawabata-Ota (author) (この著者で検索);Megumi Kawasaki (author) (この著者で検索);Tarek Khelfa (author) (この著者で検索);Junya Kobayashi (author) (この著者で検索);Lembit Kommel (author) (この著者で検索);Anna Korneva (author) (この著者で検索);Petr Kral (author) (この著者で検索);Natalia Kudriashova (author) (この著者で検索);Shigeru Kuramoto (author) (この著者で検索);Terence G. Langdon (author) (この著者で検索);Dong-Hyun Lee (author) (この著者で検索);Valery I. Levitas (author) (この著者で検索);Cong Li (author) (この著者で検索);Hai-Wen Li (author) (この著者で検索);Yongtao Li (author) (この著者で検索);Zheng Li (author) (この著者で検索);Huai-Jun Lin (author) (この著者で検索);Klaus-Dieter Liss (author) (この著者で検索);Ying Liu (author) (この著者で検索);Diana Maritza Marulanda Cardona (author) (この著者で検索);Kenji Matsuda (author) (この著者で検索);Andrey Mazilkin (author) (この著者で検索);Yoji Mine (author) (この著者で検索);Hiroyuki Miyamoto (author) (この著者で検索);Suk-Chun Moon (author) (この著者で検索);Timo Müller (author) (この著者で検索);Jairo Alberto Muñoz (author) (この著者で検索);Maxim Yu. Murashkin (author) (この著者で検索);Muhammad Naeem (author) (この著者で検索);Marc Novelli (author) (この著者で検索);Dániel Olasz (author) (この著者で検索);Reinhard Pippan (author) (この著者で検索);Vladimir V. Popov (author) (この著者で検索);Elena N. Popova (author) (この著者で検索);Gencaga Purcek (author) (この著者で検索);Patricia de Rango (author) (この著者で検索);Oliver Renk (author) (この著者で検索);Delphine Retraint (author) (この著者で検索);Ádám Révész (author) (この著者で検索);Virginie Roche (author) (この著者で検索);Pablo Rodriguez-Calvillo (author) (この著者で検索);Liliana Romero-Resendiz (author) (この著者で検索);Xavier Sauvage (author) (この著者で検索);Takahiro Sawaguchi (author) (この著者で検索);Hadi Sena (author) (この著者で検索);Hamed Shahmir (author) (この著者で検索);Xiaobin Shi (author) (この著者で検索);Vaclav Sklenicka (author) (この著者で検索);Werner Skrotzki (author) (この著者で検索);Nataliya Skryabina (author) (この著者で検索);Franziska Staab (author) (この著者で検索);Boris Straumal (author) (この著者で検索);Zhidan Sun (author) (この著者で検索);Maciej Szczerba (author) (この著者で検索);Yoichi Takizawa (author) (この著者で検索);Yongpeng Tang (author) (この著者で検索);Ruslan Z. Valiev (author) (この著者で検索);Alina Vozniak (author) (この著者で検索);Andrei Voznyak (author) (この著者で検索);Bo Wang (author) (この著者で検索);Jing Tao Wang (author) (この著者で検索);Gerhard Wilde (author) (この著者で検索);Fan Zhang (author) (この著者で検索);Meng Zhang (author) (この著者で検索);Peng Zhang (author) (この著者で検索);Jianqiang Zhou (author) (この著者で検索);Xinkun Zhu (author) (この著者で検索)Yuntian T. Zhu (author) (この著者で検索)
- キーワード
- Severe plastic deformation, Nanostructured materials, Ultrafine grained materials, Gradient-structured materials, High-pressure torsion
- 刊行年月日
- 2024-05-08
- 更新時刻
- 2024-11-02 16:30:23 +0900
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project
- ジャーナル論文
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Qiming Sun (author) (この著者で検索)
https://orcid.org/0000-0003-0528-6186
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Matthew R. Hermes (author) (この著者で検索)
https://orcid.org/0000-0001-7807-2950
(unauthenticated)
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Xiaojie Wu (author) (この著者で検索)
https://orcid.org/0000-0002-4259-2636
(unauthenticated)
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Huanchen Zhai (author) (この著者で検索)
https://orcid.org/0000-0003-0086-0388
(unauthenticated)
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Xing Zhang (author) (この著者で検索)
https://orcid.org/0000-0002-1892-1380
(unauthenticated)
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Abdelrahman M. Ahmed (author) (この著者で検索)
https://orcid.org/0009-0002-2428-6130
(unauthenticated)
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Juan José Aucar (author) (この著者で検索)
https://orcid.org/0000-0002-9065-2242
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;Oliver J. Backhouse (author) (この著者で検索)Samragni Banerjee (author) (この著者で検索)
https://orcid.org/0000-0002-6160-4241
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Peng Bao (author) (この著者で検索)
https://orcid.org/0000-0003-1581-8844
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https://orcid.org/0000-0002-5437-4919
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Kyle Bystrom (author) (この著者で検索)
https://orcid.org/0000-0003-1342-4972
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https://orcid.org/0000-0001-8313-1644
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Ning-Yuan Chen (author) (この著者で検索)
https://orcid.org/0009-0002-6146-7360
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https://orcid.org/0009-0003-0161-0476
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https://orcid.org/0000-0003-4716-8874
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https://orcid.org/0000-0002-7389-4063
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https://orcid.org/0000-0002-8868-9863
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https://orcid.org/0000-0001-7809-771X
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https://orcid.org/0000-0001-8583-3842
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https://orcid.org/0000-0002-7917-6652
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https://orcid.org/0000-0003-0311-9616
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https://orcid.org/0000-0001-5230-2631
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https://orcid.org/0009-0009-9079-1769
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Yang Gao (author) (この著者で検索)
https://orcid.org/0000-0003-2320-2839
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https://orcid.org/0000-0003-2210-5498
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https://orcid.org/0009-0004-6684-086X
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https://orcid.org/0000-0002-5020-9414
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https://orcid.org/0000-0002-6601-2253
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https://orcid.org/0000-0002-2779-0749
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https://orcid.org/0009-0000-2682-070X
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https://orcid.org/0000-0001-7020-6774
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https://orcid.org/0009-0003-5099-690X
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https://orcid.org/0000-0002-1014-5225
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https://orcid.org/0000-0002-6073-9953
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https://orcid.org/0000-0001-9036-9722
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https://orcid.org/0000-0001-9273-1043
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https://orcid.org/0000-0002-9417-1518
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https://orcid.org/0000-0003-1182-1237
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https://orcid.org/0000-0003-3665-587X
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https://orcid.org/0000-0001-6296-8103
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https://orcid.org/0000-0001-6095-9318
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https://orcid.org/0009-0002-9029-6847
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https://orcid.org/0000-0002-1488-9897
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https://orcid.org/0000-0002-9366-5866
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https://orcid.org/0000-0002-2138-3798
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https://orcid.org/0000-0001-7944-4090
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https://orcid.org/0000-0001-5411-1724
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https://orcid.org/0000-0003-3701-1830
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https://orcid.org/0000-0002-4204-746X
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https://orcid.org/0000-0001-5682-2407
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https://orcid.org/0000-0003-3608-1298
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https://orcid.org/0000-0003-2874-6843
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https://orcid.org/0000-0001-5754-9836
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https://orcid.org/0000-0003-3368-1052
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https://orcid.org/0000-0002-7623-2583
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https://orcid.org/0000-0002-4025-1790
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https://orcid.org/0000-0002-5746-5517
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https://orcid.org/0000-0002-5710-5378
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https://orcid.org/0009-0002-7742-2407
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https://orcid.org/0000-0002-5130-8633
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- キーワード
- qunatum chemistry
- 刊行年月日
- 2026-09-14
- 更新時刻
- 2026-09-11 11:25:23 +0900
Nanoarchitectonics of Nanoporous Carbon Materials from Achyranthus bidentata (Datiwan) Stem for Supercapacitor Applications
- ジャーナル論文
- 著者
-
Aabha Puri (author) (この著者で検索)
https://orcid.org/0009-0004-4103-7093
(unauthenticated)
;
Sabina Shahi (author) (この著者で検索)
;
;Chhabi Lal Gnawali (author) (この著者で検索)Katsuhiko Ariga (author) (この著者で検索)
;
Lok Kumar Shrestha (author) (この著者で検索)
- キーワード
- Achyranthus bidentata, biomass, chemical activation, nanoporous carbon, supercapacitor
- 刊行年月日
- 2026-02-28
- 更新時刻
- 2026-03-04 12:30:04 +0900
Berry curvature induced intrinsic spin Hall effect in the light-element-based CrN system for magnetization switching
- ジャーナル論文
- 著者
-
;Gaurav K. Shukla (author) (この著者で検索)Prabhat Kumar (author) (この著者で検索)
https://orcid.org/0000-0003-3897-193X
(unauthenticated)
;
Shinji Isogami (author) (この著者で検索)
- キーワード
- Light element, Spin-orbit torque
- 刊行年月日
- 2025-07-25
- 更新時刻
- 2025-09-16 12:30:43 +0900
Subphthalocyanines as fluorescence sensors for metal cations
- ジャーナル論文
- 著者
-
;Mary Angelia Alfred (author) (この著者で検索);Kamil Lang (author) (この著者で検索);Kaplan Kirakci (author) (この著者で検索);Pavel Stuzhin (author) (この著者で検索);Petr Zimcik (author) (この著者で検索)Jan Labuta (author) (この著者で検索)National Institute for Materials Science
;
Veronika Novakova (author) (この著者で検索)
- キーワード
- sensing, metal cations, host-guest complex, subphthalocyanine, fluorescence, aqueous media
- 刊行年月日
- 2024-01-04
- 更新時刻
- 2024-08-19 16:30:34 +0900
Microtubules Disruption Alters the Cellular Structures and Mechanics Depending on Underlying Chemical Cues
- ジャーナル論文
- 著者
-
;Shimaa A. Abdellatef (author) (この著者で検索);Hongxin Wang (author) (この著者で検索)Jun Nakanishi (author) (この著者で検索)
- キーワード
- Mechanobiology, Tensegrity, Microtubules, cRGD, Cytoekeleton
- 刊行年月日
- 2024-09-29
- 更新時刻
- 2025-06-10 12:30:28 +0900
Layer-selective spin-orbit coupling and strong correlation in bilayer graphene
- ジャーナル論文
- 著者
-
;Anna M Seiler (author) (この著者で検索);Yaroslav Zhumagulov (author) (この著者で検索);Klaus Zollner (author) (この著者で検索);Chiho Yoon (author) (この著者で検索);David Urbaniak (author) (この著者で検索);Fabian R Geisenhof (author) (この著者で検索)Kenji Watanabe (author) (この著者で検索)National Institute for Materials Science
;
Takashi Taniguchi (author) (この著者で検索)National Institute for Materials Science
;
;Jaroslav Fabian (author) (この著者で検索);Fan Zhang (author) (この著者で検索)R Thomas Weitz (author) (この著者で検索)
- キーワード
- spin-orbit coupling (SOC) , bilayer graphene , strong correlation
- 刊行年月日
- 2025-07-01
- 更新時刻
- 2026-03-10 16:30:14 +0900
Low temperature densification of Nd(Fe,Mo)12 nitrided samples
- プレゼンテーション
- コレクション
- The 28th International Workshop on Rare Earth and Future Permanent Magnets and Their Applications (REPM2025)
- 著者
-
;Gabriel Gomez Eslava (author) (この著者で検索)Univ. Grenoble Alpes, CEA, Liten, F-38000 Grenoble, France;Patricia de Rango (author) (この著者で検索)Univ. Grenoble Alpes, CNRS, Institut Néel, 38000 Grenoble, FranceSorana Luca (author) (この著者で検索)Univ. Grenoble Alpes, CEA, Liten, F-38000 Grenoble, France
- キーワード
- REPM2025, TR-Fe12 compounds, low temperature densification, eutectic alloys
- 刊行年月日
- 更新時刻
- 2025-09-11 16:31:10 +0900