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The history of DICE and NIMS Digital Library(14)
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Resource type: Journal article
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The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project
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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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Xiaojie Wu
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https://orcid.org/0000-0002-4259-2636
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Xiaojie Wu
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Huanchen Zhai
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https://orcid.org/0000-0003-0086-0388
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Huanchen Zhai
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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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https://orcid.org/0000-0002-6160-4241
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Samragni Banerjee
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https://orcid.org/0000-0003-1581-8844
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Peng Bao
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https://orcid.org/0000-0002-5437-4919
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Nikolay A. Bogdanov
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https://orcid.org/0000-0003-1342-4972
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Kyle Bystrom
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https://orcid.org/0000-0001-8313-1644
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Frédéric Chapoton
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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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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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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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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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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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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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https://orcid.org/0000-0002-5020-9414
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Jonas Greiner
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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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https://orcid.org/0009-0003-5099-690X
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Alireza Nejati Javaremi
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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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Daniel S. King
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https://orcid.org/0000-0001-9036-9722
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Derk Pieter Kooi
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https://orcid.org/0000-0001-9273-1043
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Jo S. Kurian
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https://orcid.org/0000-0002-9417-1518
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Henrik R. Larsson
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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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https://orcid.org/0000-0001-6296-8103
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Susi Lehtola
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Chenghan Li
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Hao Li
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Jiachen 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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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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Nastasia Mauger
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Pablo del Mazo-Sevillano
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https://orcid.org/0000-0003-3701-1830
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Jonathan Moussa
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https://orcid.org/0000-0001-7756-4355
NIMS Researchers Directory SAMURAI
Kousuke Nakano
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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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Hung Q. Pham
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https://orcid.org/0000-0003-2874-6843
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Peter Pinski
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https://orcid.org/0000-0001-5754-9836
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Pavel Pokhilko
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Zhichen Pu
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Yubing Qian
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Stephen Jon Quiton
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Wanja T. Schulze
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Thais R. Scott
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Aniruddha Seal
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James D. Serna
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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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Terrence Stahl
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https://orcid.org/0000-0002-8299-9094
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Chong Sun
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https://orcid.org/0000-0001-6459-6374
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Kevin J. Sung
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Egor Trushin
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https://orcid.org/0000-0003-1244-2984
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Egor Trushin
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https://orcid.org/0000-0002-8501-0501
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Shiv Upadhyay
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https://orcid.org/0000-0001-9059-4911
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Ethan A. Vo
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https://orcid.org/0000-0002-5884-4842
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Thijs Vogels
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https://orcid.org/0000-0002-1352-9611
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https://orcid.org/0000-0002-6147-0669
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Yuanheng Wang
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https://orcid.org/0000-0002-5295-7811
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Junjie Yang
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Hong-Zhou Ye
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Chia-Nan Yeh
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https://orcid.org/0000-0002-1348-6797
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https://orcid.org/0000-0003-2185-6855
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https://orcid.org/0000-0003-2061-3237
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Tianyu Zhu
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https://orcid.org/0000-0002-7445-2136
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Timothy C. Berkelbach
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https://orcid.org/0000-0001-5227-1396
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Laura Gagliardi
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https://orcid.org/0000-0002-6598-8887
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Sandeep Sharma
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https://orcid.org/0000-0003-2637-4134
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Alexander Yu. Sokolov
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https://orcid.org/0000-0001-8009-6038
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Garnet Kin-Lic Chan
Keyword
qunatum chemistry
Date published
2026-09-14
Updated at
2026-09-11 11:25:23 +0900
Single‐Nanoparticle Detection Using Quasi‐Bound States in the Continuum Supported by Silicon Metasurfaces
Journal article
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Keisuke Watanabe
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https://orcid.org/0000-0002-4285-2135
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Keisuke Watanabe
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Samuel Crowther
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https://orcid.org/0000-0002-0545-0348
(unauthenticated)
Samuel Crowther
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Masanobu Iwanaga
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https://orcid.org/0000-0002-8930-6940
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Masanobu Iwanaga
;
Frank Vollmer
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https://orcid.org/0000-0003-0565-4671
(unauthenticated)
Frank Vollmer
;
Tadaaki Nagao
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https://orcid.org/0000-0002-6746-2686
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Tadaaki Nagao
Keyword
metasurfaces
,
BIC
,
silicon
,
single-molecule
,
biosensors
Date published
2026-08-04
Updated at
2026-09-11 11:14:33 +0900
Quantum criticality and non-Fermi liquids: The Wilsonian renormalization group perspective
Journal article
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Mateusz Homenda
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Mateusz Homenda
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Pawel Jakubczyk
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Pawel Jakubczyk
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Hiroyuki Yamase
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https://orcid.org/0000-0003-0328-5657
National Institute for Materials Science
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Hiroyuki Yamase
Keyword
Quantum criticality
,
Landau damping
,
Renormalization group
,
non-Fermi liquid
Date published
2026-08-24
Updated at
2026-09-11 10:16:57 +0900
Strongly correlated model of acousticlike plasmons persisting across the phase diagram of cuprate superconductors
Journal article
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Luciano Zinni
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Luciano Zinni
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Hiroyuki Yamase
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https://orcid.org/0000-0003-0328-5657
National Institute for Materials Science
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Hiroyuki Yamase
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Matthias Hepting
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Matthias Hepting
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Matías Bejas
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Matías Bejas
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Andrés Greco
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Andrés Greco
Keyword
plasmon
,
acousticlike plasmon
,
t-J model
,
cuprate superconductors
Date published
2026-07-08
Updated at
2026-09-11 09:42:10 +0900
Volatile resistive-switched state in a bulk organic conductor with a sharp metal-insulator transition
Journal article
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Riku Ishii
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Riku Ishii
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Ryo Motohashi
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Ryo Motohashi
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Keitaro Tada
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Keitaro Tada
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Yusuke Suzuki
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Takayoshi Kouchi
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Hiroshi Oike
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https://orcid.org/0000-0001-6866-7774
National Institute for Materials Science
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Hiroshi Oike
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Fumitaka Kagawa
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Fumitaka Kagawa
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Reizo Kato
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Reizo Kato
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Tetsuaki Itou
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Tetsuaki Itou
Keyword
Metal-insulator transition
,
Nonequilibrium systems
,
Resistive switching
,
Strongly correlated systems
Date published
2026-08-17
Updated at
2026-09-11 10:35:18 +0900
Comment on “Spin and Orbital Polarizations of Au(111) Surface State Determined by Photoelectron Momentum Microscope”
Journal article
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Koichiro Yaji
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https://orcid.org/0000-0002-0721-1316
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Koichiro Yaji
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Shunsuke Tsuda
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https://orcid.org/0000-0001-6209-8048
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Shunsuke Tsuda
Keyword
Spin-resolved photoemission spectroscopy
Date published
2026-10-15
Updated at
2026-09-08 16:25:23 +0900
水素オルソ・パラ転換の新触媒
Journal article
Creator
庄司 州作
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https://orcid.org/0000-0002-8481-2633
エネルギー・環境材料研究センター/水素材料分野/水素製造触媒材料グループ, 物質・材料研究機構
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庄司 州作
;
阿部 英樹
(author) (
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https://orcid.org/0000-0002-8392-7586
エネルギー・環境材料研究センター/水素材料分野/水素製造触媒材料グループ, 物質・材料研究機構
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阿部 英樹
;
溝口 拓
(author) (
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https://orcid.org/0000-0002-0992-7449
ナノアーキテクトニクス材料研究センター/ナノ材料分野/電子活性材料チーム, 物質・材料研究機構
NIMS Researchers Directory SAMURAI
溝口 拓
;
細野 秀雄
(author) (
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https://orcid.org/0000-0001-9260-6728
ナノアーキテクトニクス材料研究センター/ナノ材料分野/電子活性材料チーム, 物質・材料研究機構
NIMS Researchers Directory SAMURAI
細野 秀雄
Keyword
水素
,
オルソパラ変換
,
触媒
Date published
[2026年]
Updated at
2026-09-08 16:35:19 +0900
Automated high-throughput data collection and analysis of composition-process-structure relations by utilizing casting segregation in a Ni-base superalloy
Journal article
Creator
Thomas Hoefler
(author) (
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https://orcid.org/0000-0003-0650-179X
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Thomas Hoefler
;
Ayako Ikeda
(author) (
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https://orcid.org/0000-0002-1705-9004
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Ayako Ikeda
;
Satoshi Utada
(author) (
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https://orcid.org/0000-0001-6783-9968
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Satoshi Utada
;
Makoto Osawa
(author) (
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)
National Institute for Materials Science
Makoto Osawa
;
Kyoko Kawagishi
(author) (
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https://orcid.org/0000-0001-7652-9232
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Kyoko Kawagishi
;
Toru Hara
(author) (
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https://orcid.org/0000-0002-9715-6444
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Toru Hara
;
Takahito Ohmura
(author) (
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https://orcid.org/0000-0001-7528-566X
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Takahito Ohmura
;
Daichi Akama
(author) (
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Daichi Akama
;
Masaki Taneike
(author) (
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Masaki Taneike
;
Toshio Osada
(author) (
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https://orcid.org/0000-0003-1539-9264
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Toshio Osada
Keyword
high-throughput method
,
Image analysis
,
Superalloy
,
Aging heat treatment
,
Casting segregation
Date published
2026-08-18
Updated at
2026-09-08 09:41:42 +0900
Incorporationof Oligo(Styrene), Oligo(Butadiene),Oligo(Methyl Methacrylate), and Oligo(
tert
-ButylAcrylate) Droplets in Giant Unilamellar Vesicles
Journal article
Creator
Chiho Kataoka-Hamai
(author) (
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https://orcid.org/0000-0002-4068-0405
NIMS Researchers Directory SAMURAI
Chiho Kataoka-Hamai
;
Waka Nakanishi
(author) (
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https://orcid.org/0000-0001-6801-1839
NIMS Researchers Directory SAMURAI
Waka Nakanishi
;
Shinya Hattori
(author) (
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https://orcid.org/0000-0002-2635-2464
NIMS Researchers Directory SAMURAI
Shinya Hattori
Keyword
Microplastics
,
Nanoplastics
,
Plastic oligomers
,
Giant unilamellar vesicles
Date published
2026-07-31
Updated at
2026-09-02 16:48:32 +0900
Charge- and Orbital-Order Transitions in the A-Site-Ordered Quadruple Perovskite NdCuMn6O12
Journal article
Creator
Alexei A. Belik
(author) (
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https://orcid.org/0000-0001-9031-2355
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Alexei A. Belik
;
Ran Liu
(author) (
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https://orcid.org/0000-0002-1659-2325
(unauthenticated)
National Institute for Materials Science
Ran Liu
;
Lei Zhang
(author) (
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https://orcid.org/0000-0003-1173-4328
(unauthenticated)
National Institute for Materials Science
Lei Zhang
;
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
;
Kazunari Yamaura
(author) (
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https://orcid.org/0000-0003-0390-8244
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Kazunari Yamaura
Keyword
A-site-ordered perovskites
,
high-pressure synthesis
,
charge order
,
orbital order
Date published
2026-06-26
Updated at
2026-09-02 16:14:01 +0900
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