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928 records found.
Simple implementation examples of agent AI on free energy calculation and phase-field simulation
- Journal article
- Creator
-
Toshiyuki Koyama (author) (Search by this author)
https://orcid.org/0000-0001-7424-4858
(unauthenticated)
;
Yusuke Matsuoka (author) (Search by this author)
;
Akimitsu Ishii (author) (Search by this author)
- Keyword
- generative AI, LLM, LangGraph, Gibbs energy, Phase-field method, Jarzynski equality
- Date published
- 2026-12-31
- Updated at
- 2026-02-08 08:30:08 +0900
Preprocessing Method for Spectra Interpreted by the Power Law Using Segment Regression
- Journal article
- Creator
-
Shinjiro Yagyu (author) (Search by this author)
;
Michiko Yoshitake (author) (Search by this author)
;
Takahiro Nagata (author) (Search by this author)
- Keyword
- Photoelectron Yield Spectroscopy:, segment regression, Power Law
- Date published
- 2024-11-26
- Updated at
- 2024-12-04 14:52:47 +0900
Ptychographical reconstruction code by Wigner Distribution Deconvolution （WDD）
- Software
- Creator
-
Nakazawa Katsuaki (author) (Search by this author)ICYS, National Institute for Materials Science
;
Mitsuishi Kazutaka (author) (Search by this author)Research Center for Advanced Measurement and Characterization, National Institute for Materials Science
- Keyword
- ptychography, 4DSTEM, electron microscopy, Wigner distribution deconvolution, aberration correction
- Date published
- 2022-11-30
- Updated at
- 2023-02-03 17:43:11 +0900
2023 Roadmap on molecular modelling of electrochemical energy materials
- Journal article
- Creator
-
;Chao Zhang (author) (Search by this author);Jun Cheng (author) (Search by this author);Yiming Chen (author) (Search by this author);Maria K Y Chan (author) (Search by this author);Qiong Cai (author) (Search by this author);Rodrigo P Carvalho (author) (Search by this author);Cleber F N Marchiori (author) (Search by this author);Daniel Brandell (author) (Search by this author);C Moyses Araujo (author) (Search by this author);Ming Chen (author) (Search by this author);Xiangyu Ji (author) (Search by this author);Guang Feng (author) (Search by this author);Kateryna Goloviznina (author) (Search by this author);Alessandra Serva (author) (Search by this author);Mathieu Salanne (author) (Search by this author)Toshihiko Mandai (author) (Search by this author)National Institute for Materials Science (NIMS)
;
;Tomooki Hosaka (author) (Search by this author);Mirna Alhanash (author) (Search by this author);Patrik Johansson (author) (Search by this author);Yun-Ze Qiu (author) (Search by this author);Hai Xiao (author) (Search by this author);Michael Eikerling (author) (Search by this author);Ryosuke Jinnouchi (author) (Search by this author);Marko M Melander (author) (Search by this author);Georg Kastlunger (author) (Search by this author);Assil Bouzid (author) (Search by this author);Alfredo Pasquarello (author) (Search by this author);Seung-Jae Shin (author) (Search by this author);Minho M Kim (author) (Search by this author);Hyungjun Kim (author) (Search by this author);Kathleen Schwarz (author) (Search by this author)Ravishankar Sundararaman (author) (Search by this author)
- Keyword
- electrochemical interfaces, density-functional theory, molecular dynamics simulation, electrochemical energy storage, machine learning, electrocatalysis
- Date published
- 2023-10-01
- Updated at
- 2024-03-22 00:53:39 +0900
MDR XAFS DB Readme
- Other
- Collection
- MDR XAFS DB
- Creator
-
ISHII, Masashi (author) (Search by this author)National Institute for Materials Science
;
SHIMIZU, Miharu (author) (Search by this author)National Institute for Materials Science
- Keyword
- XAFS, collection - MDR XAFS DB
- Date published
- 2022-06-14
- Updated at
- 2025-05-02 21:49:40 +0900
Ferroic order for anisotropic magnetic dipole term in collinear antiferromagnets of (t2g)4 system
- Journal article
- Creator
-
;Norimasa Sasabe (author) (Search by this author);Masaichiro Mizumaki (author) (Search by this author);Takayuki Uozumi (author) (Search by this author)Yuichi Yamasaki (author) (Search by this author)National Institute for Materials Science
- Keyword
- Magnetism, XMCD, Altermagnetism
- Date published
- 2023-11-22
- Updated at
- 2024-03-28 16:30:22 +0900
Materials Acceleration Platforms (MAPs): Accelerating Materials Research and Development to Meet Urgent Societal Challenges
- Journal article
- Creator
-
Simon P. Stier (author) (Search by this author)
https://orcid.org/0000-0003-0410-3616
(unauthenticated)
;
;Christoph Kreisbeck (author) (Search by this author);Holger Ihssen (author) (Search by this author)Matthias Albert Popp (author) (Search by this author)
https://orcid.org/0000-0001-7620-1245
(unauthenticated)
;
Jens Hauch (author) (Search by this author)
https://orcid.org/0000-0003-4384-2112
(unauthenticated)
;
Kourosh Malek (author) (Search by this author)
https://orcid.org/0000-0002-3021-0813
(unauthenticated)
;
Marine Reynaud (author) (Search by this author)
https://orcid.org/0000-0002-0156-8701
(unauthenticated)
;
;T.P.M. Goumans (author) (Search by this author)Johan Carlsson (author) (Search by this author)
https://orcid.org/0000-0002-1596-0923
(unauthenticated)
;
;Ilian Todorov (author) (Search by this author)Lukas Gold (author) (Search by this author)
https://orcid.org/0000-0001-7444-2969
(unauthenticated)
;
Andreas Räder (author) (Search by this author)
https://orcid.org/0000-0002-2673-0832
(unauthenticated)
;
Wolfgang Wenzel (author) (Search by this author)
https://orcid.org/0000-0001-9487-4689
(unauthenticated)
;
Shahbaz Tareq Bandesha (author) (Search by this author)
https://orcid.org/0000-0002-9365-8703
(unauthenticated)
;
;Philippe Jacques (author) (Search by this author)Francisco Garcia‐Moreno (author) (Search by this author)
https://orcid.org/0000-0001-6114-0240
(unauthenticated)
;
Oier Arcelus (author) (Search by this author)
https://orcid.org/0000-0001-9075-3820
(unauthenticated)
;
Pascal Friederich (author) (Search by this author)
https://orcid.org/0000-0003-4465-1465
(unauthenticated)
;
Simon Clark (author) (Search by this author)
https://orcid.org/0000-0002-8758-6109
(unauthenticated)
;
Mario Maglione (author) (Search by this author)
https://orcid.org/0000-0002-5747-8879
(unauthenticated)
;
Anssi Laukkanen (author) (Search by this author)
https://orcid.org/0000-0002-2308-744X
(unauthenticated)
;
Ivano Eligio Castelli (author) (Search by this author)
https://orcid.org/0000-0001-5880-5045
(unauthenticated)
;
Javier Carrasco (author) (Search by this author)
https://orcid.org/0000-0003-3117-6933
(unauthenticated)
;
Montserrat Casas Cabanas (author) (Search by this author)
https://orcid.org/0000-0002-9298-2333
(unauthenticated)
;
Helge Sören Stein (author) (Search by this author)
https://orcid.org/0000-0002-3461-0232
(unauthenticated)
;
Ozlem Ozcan (author) (Search by this author)
https://orcid.org/0000-0003-1965-7996
(unauthenticated)
;
David Elbert (author) (Search by this author)
https://orcid.org/0000-0002-2292-180X
(unauthenticated)
;
Karsten Reuter (author) (Search by this author)
https://orcid.org/0000-0001-8473-8659
(unauthenticated)
;
;Christoph Scheurer (author) (Search by this author)Masahiko Demura (author) (Search by this author)
;
;Sang Soo Han (author) (Search by this author)Tejs Vegge (author) (Search by this author)
https://orcid.org/0000-0002-1484-0284
(unauthenticated)
;
Sawako Nakamae (author) (Search by this author)
https://orcid.org/0000-0001-9174-3165
(unauthenticated)
;
Monica Fabrizio (author) (Search by this author)
https://orcid.org/0000-0003-2257-8375
(unauthenticated)
;
Mark Kozdras (author) (Search by this author)
https://orcid.org/0000-0001-5113-3047
(unauthenticated)
- Keyword
- advanced materials, artificial intelligence, autonomous labs, materials acceleration platforms, societal challenges
- Date published
- 2024-09-06
- Updated at
- 2024-11-11 16:30:34 +0900
International XAFS DB RDF and Ontology
- Dataset
- Creator
-
Masashi Ishii (author) (Search by this author)Center for Basic Research on Materials, NIMS
;
Asahiko Matsuda (author) (Search by this author)Materials Data Platform, NIMS
;
;Koichi Sakamoto (author) (Search by this author)Center for Basic Research on Materials, NIMS;Shohei Yamashita (author) (Search by this author)Institute of Materials Structure Science, KEKYasuhiro Niwa (author) (Search by this author)
https://orcid.org/0000-0001-5808-5594
(unauthenticated)
Institute of Materials Structure Science, KEK
;
Yasuhiro Inada (author) (Search by this author)
https://orcid.org/0000-0001-5772-4788
(unauthenticated)
College of Life Sciences, Ritsumeikan University
- Keyword
- International XAFS DB portal, Cross-database search, Terminology, Ontology, Semantics, RDF
- Date published
- 2025-05-01
- Updated at
- 2025-07-01 12:30:26 +0900
Luminescence Spectra Simulation of Ce 3+ ‐Activated Phosphors by Accumulating Emission Lines Along First‐Principles Molecular Dynamics Trajectories
- Journal article
- Creator
-
Satoru Matsuishi (author) (Search by this author)
;
Hidekazu Ikeno (author) (Search by this author)
https://orcid.org/0000-0002-3840-4049
(unauthenticated)
;
Yukinori Koyama (author) (Search by this author)
;
Takashi Takeda (author) (Search by this author)
- Keyword
- Ce3+-activated phosphor, first-principles molecular dynamics, photoluminescence
- Date published
- 2026-05-27
- Updated at
- 2026-06-01 16:26:03 +0900
Energetics and bistable morphologies of transition-metal dichalcogenide nanoscrolls
- Journal article
- Creator
-
Yanlin Gao (author) (Search by this author)
https://orcid.org/0000-0002-4587-5391
(unauthenticated)
;
Mina Maruyama (author) (Search by this author)
https://orcid.org/0000-0002-2872-5543
(unauthenticated)
;
Yasumitsu Miyata (author) (Search by this author)
https://orcid.org/0000-0002-9733-5119
(unauthenticated)
;
Susumu Okada (author) (Search by this author)
https://orcid.org/0000-0002-0783-3596
(unauthenticated)
- Keyword
- nanoscroll, transition-metal dichalcogenide
- Date published
- 2026-03-16
- Updated at
- 2026-06-09 13:24:40 +0900