MDR: NIMS Materials Data Repository

4675 records found. Displaying records 1 to 10.

Python suites for high-throughput calculations of the ab-initio quantum Monte Carlo methods

Dataset
Creator: NAKANO, Kosuke (author) (Search by this author)

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

Center for Basic Research on Materials, National Institute for Materials Science (NIMS)

NIMS Researchers Directory SAMURAI

;

Oto Kohulák (author) (Search by this author)

International School for Advanced Studies (SISSA)

;

Abhishek Raghav (author) (Search by this author)

International School for Advanced Studies (SISSA)

;

Michele Casula (author) (Search by this author)

Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie (IMPMC), Sorbonne Université

;

Sandro Sorella (author) (Search by this author)

International School for Advanced Studies (SISSA)
Keyword: Ab initio Quantum Monte Carlo, High-throughput calculations, TurboRVB, TurboGenius
Date published
Updated at: 2023-11-15 15:38:36 +0900

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

An Automated Site-Specific Tip Preparation Method for Atom Probe Tomography Using Script-Controlled Focused Ion Beam/Scanning Electron Microscopy

Journal article
Creator: Jun Uzuhashi (author) (Search by this author)

https://orcid.org/0000-0003-2023-8158

NIMS Researchers Directory SAMURAI

;

Tadakatsu Ohkubo (author) (Search by this author)

https://orcid.org/0000-0003-3548-1951

NIMS Researchers Directory SAMURAI

;

Kazuhiro Hono (author) (Search by this author)

https://orcid.org/0000-0001-7367-0193

NIMS Researchers Directory SAMURAI
Keyword: atom probe tomography, focused ion beam, scanning electron microscopy
Date published: 2025-02-03
Updated at: 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

Journal article
Creator: 柳生進二郎 (author) (Search by this author)

https://orcid.org/0000-0002-9825-5719

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, 物質・材料研究機構

 NIMS Researchers Directory SAMURAI

;

吉武道子 (author) (Search by this author)

https://orcid.org/0000-0002-0973-5666

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, 物質・材料研究機構

 NIMS Researchers Directory SAMURAI

;

長田貴弘 (author) (Search by this author)

https://orcid.org/0000-0002-8591-2943

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, 物質・材料研究機構

 NIMS Researchers Directory SAMURAI

;

安田剛 (author) (Search by this author)

https://orcid.org/0000-0003-4652-9105

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, 物質・材料研究機構

 NIMS Researchers Directory SAMURAI

;

桑島功 (author) (Search by this author)

https://orcid.org/0000-0002-5994-3834

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, 物質・材料研究機構

 NIMS Researchers Directory SAMURAI

;

劉雨彬 (author) (Search by this author)

理研計器

;

中島嘉之 (author) (Search by this author)

理研計器
Keyword: photoemission yield spectroscopy (PYS), database
Date published: 2023-08-19
Updated at: 2024-04-16 13:04:24 +0900

フェーズフィールド法と鉄鋼材料学

Journal article
Creator: 小山敏幸 (author) (Search by this author)

https://orcid.org/0000-0001-7424-4858 (unauthenticated)

構造材料研究センター, 物質・材料研究機構
Keyword: フェーズフィールド法, 生成AI, エージェントAI
Date published: 2025-07-01
Updated at: 2025-12-26 13:05:38 +0900

_最終稿版_機械学習による光電子収量分光PYSスペクトルの自動閾値予測200629.pdf

Automatic Threshold Prediction of Photoelectron Yield Spectroscopy (PYS) by Machine Learning

Journal article
Creator: YAGYU, Shinjiro (author) (Search by this author)

https://orcid.org/0000-0002-9825-5719

NIMS Researchers Directory SAMURAI

;

YOSHITAKE, Michiko (author) (Search by this author)

;

CHIKYOW, Toyohiro (author) (Search by this author)

https://orcid.org/0000-0003-3860-4806

NIMS Researchers Directory SAMURAI

;

NAGATA, Takahiro (author) (Search by this author)

https://orcid.org/0000-0002-8591-2943

NIMS Researchers Directory SAMURAI
Keyword: threshold, machine learning, photoelectron yield spectroscopy
Date published: 2020-06-10
Updated at: 2024-01-05 22:12:44 +0900

HeuslerDB_elecBand_ver1.0

Dataset
Creator: Terumasa Tadano (author) (Search by this author)

https://orcid.org/0000-0002-8132-2161

Spin Theory Group, Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science

NIMS Researchers Directory SAMURAI
Keyword: Heusler alloys, Density functional theory, Band structure
Date published: 2025-07-16
Updated at: 2025-10-06 16:30:11 +0900

HeuslerDB_elecDOS_ver1.0

Dataset
Creator: Terumasa Tadano (author) (Search by this author)

https://orcid.org/0000-0002-8132-2161

Spin Theory Group, Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science

NIMS Researchers Directory SAMURAI
Keyword: Heusler alloys
Date published: 2025-07-16
Updated at: 2025-10-06 16:30:20 +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)

Journal article
Creator: 田村亮 (author) (Search by this author)

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

NIMS Researchers Directory SAMURAI
Keyword: データ駆動手法, プロセス最適化
Date published: 2025-04-05
Updated at: 2025-06-02 16:30:10 +0900

IDW24_EP5-03_Developing a Novel Image Analytical Method for Studying the Electrochromic Properties of Metallo-Supramolecular Polymer-.pdf

Developing a Novel Image Analytical Method for Studying the Electrochromic Properties of Metallo-Supramolecular Polymer- Based Electrochromic Devices

Conference paper
Creator: Shifa Sarkar (author) (Search by this author)

https://orcid.org/0009-0008-4641-6569

Electronic Functional Macromolecule Group / Graduate School of Information Science and Technology, National Institute for Materials Science / Osaka University

NIMS Researchers Directory SAMURAI

;

Takefumi Yoshida (author) (Search by this author)

Electronic Functional Macromolecule Group, National Institute for Materials Science

;

Masayoshi Higuchi (author) (Search by this author)

https://orcid.org/0000-0001-9877-1134

Electronic Functional Macromolecule Group / Graduate School of Information Science and Technology, National Institute for Materials Science / Osaka University

NIMS Researchers Directory SAMURAI
Keyword: metallo-supramolecular polymer, electrochromic devices, image analysis, python OpenCV
Date published: [2024年]
Updated at: 2025-06-01 08:30:23 +0900

Collection

Resource type

Keyword

License

File type

Chemical composition

Analysis field

Measurement method

Material type

Structural feature for specimen

Instrument name

Filter

Collection

Resource type

Keyword

License

File type

Chemical composition

Analysis field

Measurement method

Material type

Structural feature for specimen

Instrument name