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資源タイプ: ジャーナル論文
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57 件のレコードが見つかりました。 1件目から10件目まで表示します。
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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
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Qiming Sun
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https://orcid.org/0000-0003-0528-6186
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Qiming Sun
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Matthew R. Hermes
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https://orcid.org/0000-0001-7807-2950
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Matthew R. Hermes
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Xiaojie Wu
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https://orcid.org/0000-0002-4259-2636
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Xiaojie Wu
;
Huanchen Zhai
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https://orcid.org/0000-0003-0086-0388
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Huanchen Zhai
;
Xing Zhang
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https://orcid.org/0000-0002-1892-1380
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Xing Zhang
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Abdelrahman M. Ahmed
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https://orcid.org/0009-0002-2428-6130
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Abdelrahman M. Ahmed
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Juan José Aucar
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https://orcid.org/0000-0002-9065-2242
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Juan José Aucar
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Oliver J. Backhouse
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Oliver J. Backhouse
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Samragni Banerjee
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https://orcid.org/0000-0002-6160-4241
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Samragni Banerjee
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Peng Bao
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https://orcid.org/0000-0003-1581-8844
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Peng Bao
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Nikolay A. Bogdanov
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https://orcid.org/0000-0002-5437-4919
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Nikolay A. Bogdanov
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Kyle Bystrom
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https://orcid.org/0000-0003-1342-4972
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Kyle Bystrom
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Frédéric Chapoton
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https://orcid.org/0000-0001-8313-1644
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Frédéric Chapoton
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Ning-Yuan Chen
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https://orcid.org/0009-0002-6146-7360
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Ning-Yuan Chen
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Ivan Yu. Chernyshov
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Ivan Yu. Chernyshov
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Helen S. Clifford
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https://orcid.org/0009-0003-0161-0476
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Helen S. Clifford
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Sander Cohen-Janes
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https://orcid.org/0000-0003-4716-8874
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Sander Cohen-Janes
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Zhi-Hao Cui
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https://orcid.org/0000-0002-7389-4063
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Zhi-Hao Cui
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Yann D. Damour
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https://orcid.org/0000-0002-8868-9863
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Yann D. Damour
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Nike Dattani
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Nike Dattani
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Linus Bjarne Dittmer
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Linus Bjarne Dittmer
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Sebastian Ehlert
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https://orcid.org/0000-0001-7809-771X
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Sebastian Ehlert
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Janus Juul Eriksen
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https://orcid.org/0000-0001-8583-3842
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Janus Juul Eriksen
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Francesco A. Evangelista
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https://orcid.org/0000-0002-7917-6652
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Francesco A. Evangelista
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Simon A. Ewing
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https://orcid.org/0000-0003-0311-9616
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Simon A. Ewing
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Ardavan Farahvash
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https://orcid.org/0000-0001-5230-2631
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Ardavan Farahvash
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Kevin Focke
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https://orcid.org/0009-0009-9079-1769
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Kevin Focke
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Yang Gao
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https://orcid.org/0000-0003-2320-2839
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Yang Gao
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Kevin E. Gasperich
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https://orcid.org/0000-0003-2210-5498
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Kevin E. Gasperich
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Nathan Gillispie
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https://orcid.org/0009-0004-6684-086X
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Nathan Gillispie
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Jonas Greiner
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https://orcid.org/0000-0002-5020-9414
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Jonas Greiner
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Matthew R. Hennefarth
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https://orcid.org/0000-0002-6601-2253
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Matthew R. Hennefarth
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Jan Hermann
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https://orcid.org/0000-0002-2779-0749
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Jan Hermann
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Christopher Hillenbrand
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https://orcid.org/0009-0000-2682-070X
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Christopher Hillenbrand
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Joonatan Huhtasalo
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https://orcid.org/0000-0001-7020-6774
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Joonatan Huhtasalo
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Basil Ibrahim
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Basil Ibrahim
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Bhavnesh Jangid
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Bhavnesh Jangid
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Alireza Nejati Javaremi
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https://orcid.org/0009-0003-5099-690X
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Alireza Nejati Javaremi
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Andrew J. Jenkins
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https://orcid.org/0000-0002-1014-5225
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Andrew J. Jenkins
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Yu Jin
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https://orcid.org/0000-0002-6073-9953
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Yu Jin
;
Daniel S. King
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Daniel S. King
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Derk Pieter Kooi
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https://orcid.org/0000-0001-9036-9722
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Derk Pieter Kooi
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Jo S. Kurian
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https://orcid.org/0000-0001-9273-1043
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Jo S. Kurian
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Henrik R. Larsson
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https://orcid.org/0000-0002-9417-1518
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Henrik R. Larsson
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Bryan Tak Gwong Lau
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https://orcid.org/0000-0003-1182-1237
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Bryan Tak Gwong Lau
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Seunghoon Lee
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https://orcid.org/0000-0003-3665-587X
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Seunghoon Lee
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Susi Lehtola
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https://orcid.org/0000-0001-6296-8103
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Susi Lehtola
;
Chenghan Li
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https://orcid.org/0000-0001-6095-9318
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Chenghan Li
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Hao Li
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Hao Li
;
Jiachen Li
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https://orcid.org/0000-0002-9863-1091
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Jiachen Li
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Rui Li
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https://orcid.org/0009-0002-9029-6847
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Rui Li
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Shuhang Li
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https://orcid.org/0000-0002-1488-9897
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Shuhang Li
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Aleksandr O. Lykhin
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https://orcid.org/0000-0002-9366-5866
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Aleksandr O. Lykhin
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Ankit Mahajan
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https://orcid.org/0000-0002-2138-3798
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Ankit Mahajan
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Nastasia Mauger
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https://orcid.org/0000-0001-7944-4090
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Nastasia Mauger
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Pablo del Mazo-Sevillano
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https://orcid.org/0000-0001-5411-1724
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Pablo del Mazo-Sevillano
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Jonathan Moussa
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https://orcid.org/0000-0003-3701-1830
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Jonathan Moussa
;
Kousuke Nakano
(author) (
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https://orcid.org/0000-0001-7756-4355
NIMS Researchers Directory SAMURAI
Kousuke Nakano
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Verena A. Neufeld
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https://orcid.org/0000-0002-4204-746X
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Verena A. Neufeld
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Linqing Peng
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https://orcid.org/0000-0001-5682-2407
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Linqing Peng
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Hung Q. Pham
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https://orcid.org/0000-0003-3608-1298
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Hung Q. Pham
;
Peter Pinski
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https://orcid.org/0000-0003-2874-6843
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Peter Pinski
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Pavel Pokhilko
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https://orcid.org/0000-0001-5754-9836
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Pavel Pokhilko
;
Zhichen Pu
(author) (
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https://orcid.org/0000-0003-3368-1052
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Zhichen Pu
;
Yubing Qian
(author) (
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https://orcid.org/0000-0001-6980-163X
(unauthenticated)
Yubing Qian
;
Stephen Jon Quiton
(author) (
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https://orcid.org/0000-0002-7623-2583
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Stephen Jon Quiton
;
Wanja T. Schulze
(author) (
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https://orcid.org/0000-0002-4025-1790
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Wanja T. Schulze
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Thais R. Scott
(author) (
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https://orcid.org/0000-0002-5746-5517
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Thais R. Scott
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Aniruddha Seal
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https://orcid.org/0000-0002-5710-5378
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Aniruddha Seal
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James D. Serna
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https://orcid.org/0009-0002-7742-2407
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James D. Serna
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James E. T. Smith
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https://orcid.org/0000-0002-5130-8633
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James E. T. Smith
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Kori E. Smyser
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https://orcid.org/0000-0002-3697-0717
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Kori E. Smyser
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Terrence Stahl
(author) (
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Terrence Stahl
;
Chong Sun
(author) (
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https://orcid.org/0000-0002-8299-9094
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Chong Sun
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Kevin J. Sung
(author) (
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https://orcid.org/0000-0001-6459-6374
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Kevin J. Sung
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Egor Trushin
(author) (
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https://orcid.org/0000-0003-1244-2984
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Egor Trushin
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Shiv Upadhyay
(author) (
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https://orcid.org/0000-0002-8501-0501
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Shiv Upadhyay
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Ethan A. Vo
(author) (
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https://orcid.org/0000-0001-9059-4911
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Ethan A. Vo
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Thijs Vogels
(author) (
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https://orcid.org/0000-0002-5884-4842
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Thijs Vogels
;
Shirong Wang
(author) (
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https://orcid.org/0000-0002-1352-9611
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Shirong Wang
;
Tai Wang
(author) (
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https://orcid.org/0009-0009-5775-5483
(unauthenticated)
Tai Wang
;
Xiao Wang
(author) (
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https://orcid.org/0000-0003-1402-7522
(unauthenticated)
Xiao Wang
;
Xubo Wang
(author) (
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https://orcid.org/0000-0003-3522-7435
(unauthenticated)
Xubo Wang
;
Yuanheng Wang
(author) (
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https://orcid.org/0000-0002-6147-0669
(unauthenticated)
Yuanheng Wang
;
Mark Williamson
(author) (
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https://orcid.org/0000-0002-5295-7811
(unauthenticated)
Mark Williamson
;
Junjie Yang
(author) (
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Junjie Yang
;
Hong-Zhou Ye
(author) (
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https://orcid.org/0000-0002-3714-2753
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Hong-Zhou Ye
;
Chia-Nan Yeh
(author) (
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Chia-Nan Yeh
;
Haiyang Yu
(author) (
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https://orcid.org/0009-0004-3723-4692
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Haiyang Yu
;
Jincheng Yu
(author) (
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https://orcid.org/0000-0001-8487-5565
(unauthenticated)
Jincheng Yu
;
Victor Wen-zhe Yu
(author) (
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https://orcid.org/0000-0002-6568-1244
(unauthenticated)
Victor Wen-zhe Yu
;
Chaoqun Zhang
(author) (
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https://orcid.org/0000-0002-1348-6797
(unauthenticated)
Chaoqun Zhang
;
Dayou Zhang
(author) (
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https://orcid.org/0000-0002-5393-657X
(unauthenticated)
Dayou Zhang
;
Yichi Zhang
(author) (
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Yichi Zhang
;
Zijun Zhao
(author) (
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https://orcid.org/0000-0003-0399-2968
(unauthenticated)
Zijun Zhao
;
Zehao Zhou
(author) (
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)
https://orcid.org/0000-0003-2185-6855
(unauthenticated)
Zehao Zhou
;
Andrew J. Zhu
(author) (
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https://orcid.org/0000-0002-4305-125X
(unauthenticated)
Andrew J. Zhu
;
Tianyu Zhu
(author) (
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https://orcid.org/0000-0003-2061-3237
(unauthenticated)
Tianyu Zhu
;
Timothy C. Berkelbach
(author) (
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https://orcid.org/0000-0002-7445-2136
(unauthenticated)
Timothy C. Berkelbach
;
Laura Gagliardi
(author) (
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https://orcid.org/0000-0001-5227-1396
(unauthenticated)
Laura Gagliardi
;
Sandeep Sharma
(author) (
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https://orcid.org/0000-0002-6598-8887
(unauthenticated)
Sandeep Sharma
;
Alexander Yu. Sokolov
(author) (
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https://orcid.org/0000-0003-2637-4134
(unauthenticated)
Alexander Yu. Sokolov
;
Garnet Kin-Lic Chan
(author) (
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https://orcid.org/0000-0001-8009-6038
(unauthenticated)
Garnet Kin-Lic Chan
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
An Automated Site-Specific Tip Preparation Method for Atom Probe Tomography Using Script-Controlled Focused Ion Beam/Scanning Electron Microscopy
ジャーナル論文
著者
Jun Uzuhashi
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2023-8158
NIMS Researchers Directory SAMURAI
Jun Uzuhashi
;
Tadakatsu Ohkubo
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3548-1951
NIMS Researchers Directory SAMURAI
Tadakatsu Ohkubo
;
Kazuhiro Hono
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7367-0193
NIMS Researchers Directory SAMURAI
Kazuhiro Hono
キーワード
atom probe tomography
,
focused ion beam
,
scanning electron microscopy
刊行年月日
2025-02-03
更新時刻
2024-09-05 08:30:18 +0900
有機半導体材料における光電子収量分光(PYS)データベース構築
ジャーナル論文
著者
柳生 進二郎
(author) (
この著者で検索
)
https://orcid.org/0000-0002-9825-5719
物質・材料研究機構 機能性材料研究拠点/電気・電子機能分野/ナノ電子デバイス材料グループ
NIMS Researchers Directory SAMURAI
柳生 進二郎
;
吉武 道子
(author) (
この著者で検索
)
https://orcid.org/0000-0002-0973-5666
物質・材料研究機構 機能性材料研究拠点/電気・電子機能分野/ナノ電子デバイス材料グループ
NIMS Researchers Directory SAMURAI
吉武 道子
;
長田 貴弘
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8591-2943
物質・材料研究機構 機能性材料研究拠点/電気・電子機能分野/ナノ電子デバイス材料グループ
NIMS Researchers Directory SAMURAI
長田 貴弘
;
安田 剛
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4652-9105
物質・材料研究機構 機能性材料研究拠点/ポリマー・バイオ分野/分子機能化学グループ
NIMS Researchers Directory SAMURAI
安田 剛
;
桑島 功
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5994-3834
物質・材料研究機構 統合型材料開発・情報基盤部門/材料データプラットフォームセンター/データサービスチーム
NIMS Researchers Directory SAMURAI
桑島 功
;
劉雨彬
(author) (
この著者で検索
)
理研計器
劉雨彬
;
中島嘉之
(author) (
この著者で検索
)
理研計器
中島嘉之
キーワード
photoemission yield spectroscopy (PYS)
,
database
刊行年月日
2023-08-19
更新時刻
2024-04-16 13:04:24 +0900
フェーズフィールド法と鉄鋼材料学
ジャーナル論文
著者
小山 敏幸
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7424-4858
(unauthenticated)
物質・材料研究機構 構造材料研究センター
小山 敏幸
キーワード
フェーズフィールド法
,
生成AI
,
エージェントAI
刊行年月日
2025-07-01
更新時刻
2025-12-26 13:05:38 +0900
Automatic Threshold Prediction of Photoelectron Yield Spectroscopy (PYS) by Machine Learning
ジャーナル論文
著者
YAGYU, Shinjiro
(author) (
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https://orcid.org/0000-0002-9825-5719
NIMS Researchers Directory SAMURAI
YAGYU, Shinjiro
;
YOSHITAKE, Michiko
(author) (
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YOSHITAKE, Michiko
;
CHIKYOW, Toyohiro
(author) (
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)
https://orcid.org/0000-0003-3860-4806
NIMS Researchers Directory SAMURAI
CHIKYOW, Toyohiro
;
NAGATA, Takahiro
(author) (
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https://orcid.org/0000-0002-8591-2943
NIMS Researchers Directory SAMURAI
NAGATA, Takahiro
キーワード
threshold
,
machine learning
,
photoelectron yield spectroscopy
刊行年月日
2020-06-10
更新時刻
2024-01-05 22:12:44 +0900
材料研究を加速するデータ駆動手法:プロセス最適化、最小の実験数で全体を掴む(<特集>マテリアル分野におけるデータ駆動研究の進展)
ジャーナル論文
著者
田村 亮
(author) (
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https://orcid.org/0000-0002-0349-358X
NIMS Researchers Directory SAMURAI
田村 亮
キーワード
データ駆動手法
,
プロセス最適化
刊行年月日
2025-04-05
更新時刻
2025-06-02 16:30:10 +0900
Estimating the S-N Curve by Machine Learning Random Forest Method
ジャーナル論文
著者
Nobuo Nagashima
(author) (
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https://orcid.org/0000-0003-3588-980X
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Nobuo Nagashima
;
Masao Hayakawa
(author) (
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https://orcid.org/0000-0001-5143-8350
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Masao Hayakawa
;
Hiroyuki Masuda
(author) (
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https://orcid.org/0000-0003-2847-1616
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Hiroyuki Masuda
;
Kotobu Nagai
(author) (
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)
National Institute for Materials Science
Kotobu Nagai
キーワード
fatigue
,
high-cycle fatigue
,
data-sheet
,
machine learning
,
random forest method
刊行年月日
2024-04-01
更新時刻
2024-12-27 16:30:58 +0900
Computational material screening for electrode materials of BaSi2 solar cells
ジャーナル論文
著者
Tomoaki Yazaki
(author) (
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University of Yamanashi a Center for Crystal Science and Technology
Tomoaki Yazaki
;
Keisuke Arimoto
(author) (
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)
Keisuke Arimoto
;
Junji Yamanaka
(author) (
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)
Junji Yamanaka
;
Kosuke O. Hara
(author) (
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)
Kosuke O. Hara
キーワード
Solar cells
,
metallic electrode
,
high-throughput virtual screening
,
work function
,
melting point
,
density functional theory
刊行年月日
2026-12-31
更新時刻
2026-03-07 12:30:04 +0900
Rapid, comprehensive search of crystalline phases from X-ray diffraction in seconds via GPU-accelerated Bayesian variational inference
ジャーナル論文
著者
Ryo Murakami
(author) (
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https://orcid.org/0000-0001-8585-9268
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Ryo Murakami
;
Kenji Nagata
(author) (
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https://orcid.org/0000-0001-9894-4461
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Kenji Nagata
;
Yoshitaka Matsushita
(author) (
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https://orcid.org/0000-0002-4968-8905
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Yoshitaka Matsushita
;
Masahiko Demura
(author) (
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)
https://orcid.org/0000-0002-7308-3041
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Masahiko Demura
キーワード
X-ray diffraction
,
GPU computing
,
sparse modeling
,
bayesian inference
,
model selection
刊行年月日
2025-12-31
更新時刻
2025-07-26 08:30:18 +0900
高信頼性セラミックスのデータ駆動型設計を目指して
ジャーナル論文
著者
長田 俊郎
(author) (
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https://orcid.org/0000-0003-1539-9264
物質・材料研究機構 構造材料研究センター/材料創製分野/高信頼性耐熱材料グループ
NIMS Researchers Directory SAMURAI
長田 俊郎
;
大熊 学
(author) (
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)
https://orcid.org/0000-0002-2997-9166
物質・材料研究機構 構造材料研究センター/材料創製分野/セラミックス基複合材料グループ
NIMS Researchers Directory SAMURAI
大熊 学
;
尾崎伸吾
(author) (
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)
物質・材料研究機構 構造材料研究センター/材料創製分野/高信頼性耐熱材料グループ
尾崎伸吾
キーワード
データ駆動型設計
,
セラミックス
,
高信頼性
,
SPring8
,
ワイブル統計
刊行年月日
[2025/夏]
更新時刻
2025-10-21 16:05:23 +0900
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