MDR: NIMS Materials Data Repository

5822 records found. Displaying records 1 to 10.

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)

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

;

Matthew R. Hermes (author) (Search by this author)

https://orcid.org/0000-0001-7807-2950 (unauthenticated)

;

Xiaojie Wu (author) (Search by this author)

https://orcid.org/0000-0002-4259-2636 (unauthenticated)

;

Huanchen Zhai (author) (Search by this author)

https://orcid.org/0000-0003-0086-0388 (unauthenticated)

;

Xing Zhang (author) (Search by this author)

https://orcid.org/0000-0002-1892-1380 (unauthenticated)

;

Abdelrahman M. Ahmed (author) (Search by this author)

https://orcid.org/0009-0002-2428-6130 (unauthenticated)

;

Juan José Aucar (author) (Search by this author)

https://orcid.org/0000-0002-9065-2242 (unauthenticated)

;

Oliver J. Backhouse (author) (Search by this author)

;

Samragni Banerjee (author) (Search by this author)

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

;

Peng Bao (author) (Search by this author)

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

;

Nikolay A. Bogdanov (author) (Search by this author)

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

;

Kyle Bystrom (author) (Search by this author)

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

;

Frédéric Chapoton (author) (Search by this author)

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

;

Ning-Yuan Chen (author) (Search by this author)

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

;

Ivan Yu. Chernyshov (author) (Search by this author)

;

Helen S. Clifford (author) (Search by this author)

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

;

Sander Cohen-Janes (author) (Search by this author)

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

;

Zhi-Hao Cui (author) (Search by this author)

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

;

Yann D. Damour (author) (Search by this author)

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

;

Nike Dattani (author) (Search by this author)

;

Linus Bjarne Dittmer (author) (Search by this author)

;

Sebastian Ehlert (author) (Search by this author)

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

;

Janus Juul Eriksen (author) (Search by this author)

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

;

Francesco A. Evangelista (author) (Search by this author)

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

;

Simon A. Ewing (author) (Search by this author)

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

;

Ardavan Farahvash (author) (Search by this author)

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

;

Kevin Focke (author) (Search by this author)

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

;

Yang Gao (author) (Search by this author)

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

;

Kevin E. Gasperich (author) (Search by this author)

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

;

Nathan Gillispie (author) (Search by this author)

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

;

Jonas Greiner (author) (Search by this author)

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

;

Matthew R. Hennefarth (author) (Search by this author)

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

;

Jan Hermann (author) (Search by this author)

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

;

Christopher Hillenbrand (author) (Search by this author)

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

;

Joonatan Huhtasalo (author) (Search by this author)

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

;

Basil Ibrahim (author) (Search by this author)

;

Bhavnesh Jangid (author) (Search by this author)

;

Alireza Nejati Javaremi (author) (Search by this author)

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

;

Andrew J. Jenkins (author) (Search by this author)

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

;

Yu Jin (author) (Search by this author)

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

;

Daniel S. King (author) (Search by this author)

;

Derk Pieter Kooi (author) (Search by this author)

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

;

Jo S. Kurian (author) (Search by this author)

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

;

Henrik R. Larsson (author) (Search by this author)

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

;

Bryan Tak Gwong Lau (author) (Search by this author)

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

;

Seunghoon Lee (author) (Search by this author)

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

;

Susi Lehtola (author) (Search by this author)

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

;

Chenghan Li (author) (Search by this author)

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

;

Hao Li (author) (Search by this author)

;

Jiachen Li (author) (Search by this author)

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

;

Rui Li (author) (Search by this author)

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

;

Shuhang Li (author) (Search by this author)

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

;

Aleksandr O. Lykhin (author) (Search by this author)

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

;

Ankit Mahajan (author) (Search by this author)

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

;

Nastasia Mauger (author) (Search by this author)

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

;

Pablo del Mazo-Sevillano (author) (Search by this author)

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

;

Jonathan Moussa (author) (Search by this author)

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

;

Kousuke Nakano (author) (Search by this author)

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

NIMS Researchers Directory SAMURAI

;

Verena A. Neufeld (author) (Search by this author)

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

;

Linqing Peng (author) (Search by this author)

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

;

Hung Q. Pham (author) (Search by this author)

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

;

Peter Pinski (author) (Search by this author)

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

;

Pavel Pokhilko (author) (Search by this author)

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

;

Zhichen Pu (author) (Search by this author)

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

;

Yubing Qian (author) (Search by this author)

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

;

Stephen Jon Quiton (author) (Search by this author)

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

;

Wanja T. Schulze (author) (Search by this author)

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

;

Thais R. Scott (author) (Search by this author)

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

;

Aniruddha Seal (author) (Search by this author)

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

;

James D. Serna (author) (Search by this author)

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

;

James E. T. Smith (author) (Search by this author)

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

;

Kori E. Smyser (author) (Search by this author)

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

;

Terrence Stahl (author) (Search by this author)

;

Chong Sun (author) (Search by this author)

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

;

Kevin J. Sung (author) (Search by this author)

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

;

Egor Trushin (author) (Search by this author)

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

;

Shiv Upadhyay (author) (Search by this author)

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

;

Ethan A. Vo (author) (Search by this author)

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

;

Thijs Vogels (author) (Search by this author)

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

;

Shirong Wang (author) (Search by this author)

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

;

Tai Wang (author) (Search by this author)

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

;

Xiao Wang (author) (Search by this author)

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

;

Xubo Wang (author) (Search by this author)

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

;

Yuanheng Wang (author) (Search by this author)

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

;

Mark Williamson (author) (Search by this author)

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

;

Junjie Yang (author) (Search by this author)

;

Hong-Zhou Ye (author) (Search by this author)

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

;

Chia-Nan Yeh (author) (Search by this author)

;

Haiyang Yu (author) (Search by this author)

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

;

Jincheng Yu (author) (Search by this author)

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

;

Victor Wen-zhe Yu (author) (Search by this author)

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

;

Chaoqun Zhang (author) (Search by this author)

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

;

Dayou Zhang (author) (Search by this author)

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

;

Yichi Zhang (author) (Search by this author)

;

Zijun Zhao (author) (Search by this author)

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

;

Zehao Zhou (author) (Search by this author)

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

;

Andrew J. Zhu (author) (Search by this author)

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

;

Tianyu Zhu (author) (Search by this author)

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

;

Timothy C. Berkelbach (author) (Search by this author)

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

;

Laura Gagliardi (author) (Search by this author)

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

;

Sandeep Sharma (author) (Search by this author)

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

;

Alexander Yu. Sokolov (author) (Search by this author)

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

;

Garnet Kin-Lic Chan (author) (Search by this author)

https://orcid.org/0000-0001-8009-6038 (unauthenticated)
Keyword: qunatum chemistry
Date published: 2026-09-14
Updated at: 2026-09-11 11:25:23 +0900

Supplemental data to 'A unified model for metallic materials reliability data and its application in NIMS Metallic Materials Database (Kinzoku)'

Dataset
Creator: Asahiko Matsuda (author) (Search by this author)

https://orcid.org/0000-0001-5989-027X

Research Network and Facility Services Division, National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Masahiko Demura (author) (Search by this author)

https://orcid.org/0000-0002-7308-3041

Research Network and Facility Services Division, National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Masayoshi Yamazaki (author) (Search by this author)

National Institute for Materials Science

;

Takuya Kadohira (author) (Search by this author)

https://orcid.org/0000-0003-0569-1309

Research Network and Facility Services Division, National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Toshihiro Ashino (author) (Search by this author)

https://orcid.org/0009-0002-9592-8516 (unauthenticated)

Faculty of Regional Development Studies, Toyo University

;

Yoshiyuki Furuya (author) (Search by this author)

https://orcid.org/0000-0002-3039-5280

Research Center for Structural Materials, National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Kota Sawada (author) (Search by this author)

https://orcid.org/0000-0001-7780-1648

Research Center for Structural Materials, National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Nobutaka Nishikawa (author) (Search by this author)

Mizuho Research & Technologies, Ltd.
Keyword: metallic materials, structural materials, database, data format, data model, creep, fatigue
Date published: 2025-12-31
Updated at: 2025-08-01 08:55:21 +0900

Tunnel magnetoresistive sensors with non-hysteretic resistance-magnetic field curves using noncollinear interlayer exchange coupling through RuFe spacers

Journal article
Creator: Prabhanjan D. Kulkarni (author) (Search by this author)

https://orcid.org/0000-0002-4605-5256

Research Center for Magnetic and Spintronic Materials/Magnetic Functional Device Group, National Institute for Materials Science

;

Tomoya Nakatani (author) (Search by this author)

https://orcid.org/0000-0001-9590-216X

Research Center for Magnetic and Spintronic Materials/Magnetic Functional Device Group, National Institute for Materials Science

NIMS Researchers Directory SAMURAI
Keyword: tunnel magnetoresistance, interlayer exchange coupling, magnetic sensor, magnetic hysteresis
Date published: 2024-10-14
Updated at: 2024-11-13 12:30:11 +0900

Velocity-Independent Dry Friction on Mica: Realization of Ideal Amontons-Coulomb Friction

Journal article
Creator: Hiroshi Sakuma (author) (Search by this author)

https://orcid.org/0000-0002-6522-0704

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Diane E. Moore (author) (Search by this author)

;

David A. Lockner (author) (Search by this author)

;

Toshihiro Kogure (author) (Search by this author)
Keyword: Friction, Mica, Ripplocation
Date published: 2026-07-20
Updated at: 2026-07-24 11:05:45 +0900

Polymorphism in high-temperature GeS2: identification and characterization of two distinct polymorphs

Journal article
Creator: Masaru Nakamura (author) (Search by this author)

https://orcid.org/0000-0001-9729-847X

Optical Single Crystals Group, National Institute of Materials Science (NIMS)

NIMS Researchers Directory SAMURAI

;

Yoshitaka Matsushita (author) (Search by this author)

https://orcid.org/0000-0002-4968-8905

Surface and Bulk Analysis Unit, National Institute of Materials Science (NIMS)

NIMS Researchers Directory SAMURAI
Keyword: Germanium disulfide, Polymorphism, 2D materials, Raman spectroscopy, Crystal structure, Optical properties
Date published: 2026-05-17
Updated at: 2026-06-03 15:26:22 +0900

Spglib: a software library for crystal symmetry search

Journal article
Creator: Atsushi Togo (author) (Search by this author)

https://orcid.org/0000-0001-8393-9766

NIMS Researchers Directory SAMURAI

;

Kohei Shinohara (author) (Search by this author)

;

Isao Tanaka (author) (Search by this author)
Keyword: Space group
Date published: 2024-12-31
Updated at: 2024-11-12 16:30:24 +0900

XTDB, an XML based format for Calphad databases

Journal article
Creator: Bo Sundman (author) (Search by this author)

;

Fabio Miani (author) (Search by this author)

;

Axel van de Walle (author) (Search by this author)

;

Bengt Hallstedt (author) (Search by this author)

;

Ursula R. Kattner (author) (Search by this author)

;

Florian Tang (author) (Search by this author)

;

Taichi Abe (author) (Search by this author)

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

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Reza Naraghi (author) (Search by this author)

;

Erwin Povoden-Karadeniz (author) (Search by this author)

;

Aurelie Jacob (author) (Search by this author)

;

Shuanglin Chen (author) (Search by this author)

;

Richard Otis (author) (Search by this author)

;

Kazuhisa Shobu (author) (Search by this author)

;

Malin Selleby (author) (Search by this author)

;

Alexander Pisch (author) (Search by this author)
Keyword: Computational Thermodynamics, Calphad, XML
Date published: 2025-07-23
Updated at: 2025-07-30 12:30:38 +0900

Distinct moiré exciton dynamics in WS2/WSe2 heterostructure

Journal article
Creator: Feng Kai (author) (Search by this author)

;

Xiong Wang (author) (Search by this author)

;

Yiqin Xie (author) (Search by this author)

;

Yuhui Yang (author) (Search by this author)

;

Kenji Watanabe (author) (Search by this author)

https://orcid.org/0000-0003-3701-8119

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Takashi Taniguchi (author) (Search by this author)

https://orcid.org/0000-0002-1467-3105

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Hongyi Yu (author) (Search by this author)

;

Wang Yao (author) (Search by this author)

;

Xiaodong Cui (author) (Search by this author)
Keyword: moiré excitons , WS2/WSe2 heterostructure , pump-probe spectroscopy 
Date published: 2025-02-06
Updated at: 2026-02-17 08:30:21 +0900

Symmetry classification of 2D materials: layer groups versus space groups

Journal article
Creator: Jingheng Fu (author) (Search by this author)

;

Mikael Kuisma (author) (Search by this author)

;

Ask Hjorth Larsen (author) (Search by this author)

;

Kohei Shinohara (author) (Search by this author)

;

Atsushi Togo (author) (Search by this author)

https://orcid.org/0000-0001-8393-9766

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Kristian S Thygesen (author) (Search by this author)
Keyword: Layer group
Date published: 2024-07-01
Updated at: 2024-08-21 16:30:34 +0900

Physical Review Letters 96 (2006) 97401.pdf

Squeezing Visible Light waves into a 3-nm-thick and 55-nm-long Plasmon Cavity

Journal article
Creator: Hideki T. Miyazaki (author) (Search by this author)

https://orcid.org/0000-0003-4152-1171

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Yoichi Kurokawa (author) (Search by this author)
Keyword: プラズモニクス, plasmonics, プラズモン共振器, plasmon cavities, プラズモン共鳴, plasmon resonance
Date published: 2006-03-07
Updated at: 2024-01-05 22:13:27 +0900

Collection

Resource type

Keyword

License

File type

Computational method

Material type

Instrument name

Model number

Filter

Collection

Resource type

Keyword

License

File type

Computational method

Material type

Instrument name

Model number