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The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project

ジャーナル論文
著者: Qiming Sun (author) (この著者で検索)

https://orcid.org/0000-0003-0528-6186 (unauthenticated)

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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 (unauthenticated)

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Oliver J. Backhouse (author) (この著者で検索)

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Samragni Banerjee (author) (この著者で検索)

https://orcid.org/0000-0002-6160-4241 (unauthenticated)

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Peng Bao (author) (この著者で検索)

https://orcid.org/0000-0003-1581-8844 (unauthenticated)

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Nikolay A. Bogdanov (author) (この著者で検索)

https://orcid.org/0000-0002-5437-4919 (unauthenticated)

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Kyle Bystrom (author) (この著者で検索)

https://orcid.org/0000-0003-1342-4972 (unauthenticated)

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Frédéric Chapoton (author) (この著者で検索)

https://orcid.org/0000-0001-8313-1644 (unauthenticated)

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Ning-Yuan Chen (author) (この著者で検索)

https://orcid.org/0009-0002-6146-7360 (unauthenticated)

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Ivan Yu. Chernyshov (author) (この著者で検索)

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Helen S. Clifford (author) (この著者で検索)

https://orcid.org/0009-0003-0161-0476 (unauthenticated)

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Sander Cohen-Janes (author) (この著者で検索)

https://orcid.org/0000-0003-4716-8874 (unauthenticated)

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Zhi-Hao Cui (author) (この著者で検索)

https://orcid.org/0000-0002-7389-4063 (unauthenticated)

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Yann D. Damour (author) (この著者で検索)

https://orcid.org/0000-0002-8868-9863 (unauthenticated)

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Nike Dattani (author) (この著者で検索)

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Linus Bjarne Dittmer (author) (この著者で検索)

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Sebastian Ehlert (author) (この著者で検索)

https://orcid.org/0000-0001-7809-771X (unauthenticated)

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Janus Juul Eriksen (author) (この著者で検索)

https://orcid.org/0000-0001-8583-3842 (unauthenticated)

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Francesco A. Evangelista (author) (この著者で検索)

https://orcid.org/0000-0002-7917-6652 (unauthenticated)

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Simon A. Ewing (author) (この著者で検索)

https://orcid.org/0000-0003-0311-9616 (unauthenticated)

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Ardavan Farahvash (author) (この著者で検索)

https://orcid.org/0000-0001-5230-2631 (unauthenticated)

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Kevin Focke (author) (この著者で検索)

https://orcid.org/0009-0009-9079-1769 (unauthenticated)

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Yang Gao (author) (この著者で検索)

https://orcid.org/0000-0003-2320-2839 (unauthenticated)

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Kevin E. Gasperich (author) (この著者で検索)

https://orcid.org/0000-0003-2210-5498 (unauthenticated)

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Nathan Gillispie (author) (この著者で検索)

https://orcid.org/0009-0004-6684-086X (unauthenticated)

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Jonas Greiner (author) (この著者で検索)

https://orcid.org/0000-0002-5020-9414 (unauthenticated)

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Matthew R. Hennefarth (author) (この著者で検索)

https://orcid.org/0000-0002-6601-2253 (unauthenticated)

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Jan Hermann (author) (この著者で検索)

https://orcid.org/0000-0002-2779-0749 (unauthenticated)

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Christopher Hillenbrand (author) (この著者で検索)

https://orcid.org/0009-0000-2682-070X (unauthenticated)

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Joonatan Huhtasalo (author) (この著者で検索)

https://orcid.org/0000-0001-7020-6774 (unauthenticated)

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Basil Ibrahim (author) (この著者で検索)

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Bhavnesh Jangid (author) (この著者で検索)

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Alireza Nejati Javaremi (author) (この著者で検索)

https://orcid.org/0009-0003-5099-690X (unauthenticated)

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Andrew J. Jenkins (author) (この著者で検索)

https://orcid.org/0000-0002-1014-5225 (unauthenticated)

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Yu Jin (author) (この著者で検索)

https://orcid.org/0000-0002-6073-9953 (unauthenticated)

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Daniel S. King (author) (この著者で検索)

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Derk Pieter Kooi (author) (この著者で検索)

https://orcid.org/0000-0001-9036-9722 (unauthenticated)

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Jo S. Kurian (author) (この著者で検索)

https://orcid.org/0000-0001-9273-1043 (unauthenticated)

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Henrik R. Larsson (author) (この著者で検索)

https://orcid.org/0000-0002-9417-1518 (unauthenticated)

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Bryan Tak Gwong Lau (author) (この著者で検索)

https://orcid.org/0000-0003-1182-1237 (unauthenticated)

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Seunghoon Lee (author) (この著者で検索)

https://orcid.org/0000-0003-3665-587X (unauthenticated)

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Susi Lehtola (author) (この著者で検索)

https://orcid.org/0000-0001-6296-8103 (unauthenticated)

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Chenghan Li (author) (この著者で検索)

https://orcid.org/0000-0001-6095-9318 (unauthenticated)

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Hao Li (author) (この著者で検索)

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Jiachen Li (author) (この著者で検索)

https://orcid.org/0000-0002-9863-1091 (unauthenticated)

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Rui Li (author) (この著者で検索)

https://orcid.org/0009-0002-9029-6847 (unauthenticated)

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Shuhang Li (author) (この著者で検索)

https://orcid.org/0000-0002-1488-9897 (unauthenticated)

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Aleksandr O. Lykhin (author) (この著者で検索)

https://orcid.org/0000-0002-9366-5866 (unauthenticated)

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Ankit Mahajan (author) (この著者で検索)

https://orcid.org/0000-0002-2138-3798 (unauthenticated)

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Nastasia Mauger (author) (この著者で検索)

https://orcid.org/0000-0001-7944-4090 (unauthenticated)

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Pablo del Mazo-Sevillano (author) (この著者で検索)

https://orcid.org/0000-0001-5411-1724 (unauthenticated)

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Jonathan Moussa (author) (この著者で検索)

https://orcid.org/0000-0003-3701-1830 (unauthenticated)

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Kousuke Nakano (author) (この著者で検索)

https://orcid.org/0000-0001-7756-4355

NIMS Researchers Directory SAMURAI

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Verena A. Neufeld (author) (この著者で検索)

https://orcid.org/0000-0002-4204-746X (unauthenticated)

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Linqing Peng (author) (この著者で検索)

https://orcid.org/0000-0001-5682-2407 (unauthenticated)

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Hung Q. Pham (author) (この著者で検索)

https://orcid.org/0000-0003-3608-1298 (unauthenticated)

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Peter Pinski (author) (この著者で検索)

https://orcid.org/0000-0003-2874-6843 (unauthenticated)

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Pavel Pokhilko (author) (この著者で検索)

https://orcid.org/0000-0001-5754-9836 (unauthenticated)

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Zhichen Pu (author) (この著者で検索)

https://orcid.org/0000-0003-3368-1052 (unauthenticated)

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Yubing Qian (author) (この著者で検索)

https://orcid.org/0000-0001-6980-163X (unauthenticated)

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Stephen Jon Quiton (author) (この著者で検索)

https://orcid.org/0000-0002-7623-2583 (unauthenticated)

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Wanja T. Schulze (author) (この著者で検索)

https://orcid.org/0000-0002-4025-1790 (unauthenticated)

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Thais R. Scott (author) (この著者で検索)

https://orcid.org/0000-0002-5746-5517 (unauthenticated)

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Aniruddha Seal (author) (この著者で検索)

https://orcid.org/0000-0002-5710-5378 (unauthenticated)

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James D. Serna (author) (この著者で検索)

https://orcid.org/0009-0002-7742-2407 (unauthenticated)

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James E. T. Smith (author) (この著者で検索)

https://orcid.org/0000-0002-5130-8633 (unauthenticated)

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Kori E. Smyser (author) (この著者で検索)

https://orcid.org/0000-0002-3697-0717 (unauthenticated)

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Terrence Stahl (author) (この著者で検索)

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Chong Sun (author) (この著者で検索)

https://orcid.org/0000-0002-8299-9094 (unauthenticated)

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Kevin J. Sung (author) (この著者で検索)

https://orcid.org/0000-0001-6459-6374 (unauthenticated)

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Egor Trushin (author) (この著者で検索)

https://orcid.org/0000-0003-1244-2984 (unauthenticated)

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Shiv Upadhyay (author) (この著者で検索)

https://orcid.org/0000-0002-8501-0501 (unauthenticated)

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Ethan A. Vo (author) (この著者で検索)

https://orcid.org/0000-0001-9059-4911 (unauthenticated)

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Thijs Vogels (author) (この著者で検索)

https://orcid.org/0000-0002-5884-4842 (unauthenticated)

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Shirong Wang (author) (この著者で検索)

https://orcid.org/0000-0002-1352-9611 (unauthenticated)

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Tai Wang (author) (この著者で検索)

https://orcid.org/0009-0009-5775-5483 (unauthenticated)

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Xiao Wang (author) (この著者で検索)

https://orcid.org/0000-0003-1402-7522 (unauthenticated)

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Xubo Wang (author) (この著者で検索)

https://orcid.org/0000-0003-3522-7435 (unauthenticated)

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Yuanheng Wang (author) (この著者で検索)

https://orcid.org/0000-0002-6147-0669 (unauthenticated)

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Mark Williamson (author) (この著者で検索)

https://orcid.org/0000-0002-5295-7811 (unauthenticated)

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Junjie Yang (author) (この著者で検索)

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Hong-Zhou Ye (author) (この著者で検索)

https://orcid.org/0000-0002-3714-2753 (unauthenticated)

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Chia-Nan Yeh (author) (この著者で検索)

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Haiyang Yu (author) (この著者で検索)

https://orcid.org/0009-0004-3723-4692 (unauthenticated)

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Jincheng Yu (author) (この著者で検索)

https://orcid.org/0000-0001-8487-5565 (unauthenticated)

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Victor Wen-zhe Yu (author) (この著者で検索)

https://orcid.org/0000-0002-6568-1244 (unauthenticated)

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Chaoqun Zhang (author) (この著者で検索)

https://orcid.org/0000-0002-1348-6797 (unauthenticated)

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Dayou Zhang (author) (この著者で検索)

https://orcid.org/0000-0002-5393-657X (unauthenticated)

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Yichi Zhang (author) (この著者で検索)

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Zijun Zhao (author) (この著者で検索)

https://orcid.org/0000-0003-0399-2968 (unauthenticated)

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Zehao Zhou (author) (この著者で検索)

https://orcid.org/0000-0003-2185-6855 (unauthenticated)

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Andrew J. Zhu (author) (この著者で検索)

https://orcid.org/0000-0002-4305-125X (unauthenticated)

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Tianyu Zhu (author) (この著者で検索)

https://orcid.org/0000-0003-2061-3237 (unauthenticated)

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Timothy C. Berkelbach (author) (この著者で検索)

https://orcid.org/0000-0002-7445-2136 (unauthenticated)

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Laura Gagliardi (author) (この著者で検索)

https://orcid.org/0000-0001-5227-1396 (unauthenticated)

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Sandeep Sharma (author) (この著者で検索)

https://orcid.org/0000-0002-6598-8887 (unauthenticated)

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Alexander Yu. Sokolov (author) (この著者で検索)

https://orcid.org/0000-0003-2637-4134 (unauthenticated)

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Garnet Kin-Lic Chan (author) (この著者で検索)

https://orcid.org/0000-0001-8009-6038 (unauthenticated)
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

Exploring the Expertise of Large Language Models in Materials Science and Metallurgical Engineering

ジャーナル論文
著者: Christophe Bajan (author) (この著者で検索)

https://orcid.org/0009-0008-1433-9618

National Institute for Materials Science Center for Basic Research on Materials/Data-driven Materials Research Field/Data-driven Materials Design Group

NIMS Researchers Directory SAMURAI

;

Guillaume Lambard (author) (この著者で検索)

https://orcid.org/0000-0003-0275-4079

National Institute for Materials Science Center for Basic Research on Materials/Data-driven Materials Research Field/Data-driven Materials Design Group

NIMS Researchers Directory SAMURAI
キーワード: Large language models, Materials science, Metallurgical Engineering
刊行年月日: 2025-01-20
更新時刻: 2025-01-21 12:30:37 +0900

A software framework for translating literature-derived χDL procedures into execution-format programs on the Chemspeed automation platform

ジャーナル論文
著者: Yuuya Nagata (author) (この著者で検索)

https://orcid.org/0000-0001-5926-5845 (unauthenticated)

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Kojiro Machi (author) (この著者で検索)

;

Seiji Akiyama (author) (この著者で検索)

;

Masaharu Yoshioka (author) (この著者で検索)

https://orcid.org/0000-0002-2096-1218 (unauthenticated)
キーワード: Chemical synthesis automation, Machine-readable synthesis procedures, Chemical Description Language, Large language models, Chemspeed automation
刊行年月日: 2026-08-17
更新時刻: 2026-09-03 20:51:21 +0900

Fabrication of monolayer h-BN/LaB6 heterostructure thin film with low work function and high chemical stability

ジャーナル論文
著者: Katsumi Nagaoka (author) (この著者で検索)

https://orcid.org/0000-0001-6746-5329

NIMS Researchers Directory SAMURAI

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Takashi Aizawa (author) (この著者で検索)

https://orcid.org/0000-0003-2357-5336

NIMS Researchers Directory SAMURAI

;

Shun-ichiro Ohmi (author) (この著者で検索)
キーワード: heterostructure thin film, lanthanum hexaboride (LaB6), low work function, monolayer hexagonal boron nitride (h-BN)
刊行年月日: 2024-06-06
更新時刻: 2024-06-19 16:30:16 +0900

aLLoyM: a large language model for alloy phase diagram prediction

ジャーナル論文
著者: Yuna Oikawa (author) (この著者で検索)

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Guillaume Deffrennes (author) (この著者で検索)

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Rintaro Shimayoshi (author) (この著者で検索)

;

Taichi Abe (author) (この著者で検索)

https://orcid.org/0000-0002-5065-0939

NIMS Researchers Directory SAMURAI

;

Ryo Tamura (author) (この著者で検索)

https://orcid.org/0000-0002-0349-358X

NIMS Researchers Directory SAMURAI

;

Koji Tsuda (author) (この著者で検索)
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

Adv Materials Technologies - 2025 - Zhang - Ultrasensitive and Reliable Diamond MEMS Magnetic Force Sensor with 3D Imaging.pdf

Ultrasensitive and Reliable Diamond MEMS Magnetic Force Sensor with 3D Imaging at Room Temperature

ジャーナル論文
著者: Zilong Zhang (author) (この著者で検索)

Graduate School of Engineering, Tohoku University

;

Keyun Gu (author) (この著者で検索)

National Institute for Materials Science Research Center for Electronic and Optical Materials/Functional Materials Field/Ultra-wide Bandgap Semiconductors Group

;

Zhijian Zhao (author) (この著者で検索)

Graduate School of Engineering, Tohoku University

;

Zhengyan Lei (author) (この著者で検索)

Graduate School of Engineering, Tohoku University

;

Yi-Hsiu Kao (author) (この著者で検索)

Graduate School of Engineering, Tohoku University

;

Meiyong Liao (author) (この著者で検索)

https://orcid.org/0000-0003-1361-4266

National Institute for Materials Science Research Center for Electronic and Optical Materials/Functional Materials Field/Ultra-wide Bandgap Semiconductors Group

NIMS Researchers Directory SAMURAI

;

Takahito Ono (author) (この著者で検索)

Graduate School of Engineering, Tohoku University

;

Masaya Toda (author) (この著者で検索)

Graduate School of Engineering, Tohoku University
キーワード: Diamond, MEMS, magnetic sensors,
刊行年月日: 2025-05-12
更新時刻: 2025-07-22 12:30:24 +0900