59 records found.

1-s2.0-S2949747725000065-main (3).pdf
Generating eco-friendly ionic liquids with enhanced CO2 solubility using language models
Journal article
Creator
Adroit T.N. Fajar (author) (Search by this author)
;
Guillaume Lambard (author) (Search by this author)
ORCID SAMURAI ;
Md. Amirul Islam (author) (Search by this author)
;
Bidyut B. Saha (author) (Search by this author)
;
Zakiah D. Nurfajrin (author) (Search by this author)
;
Kevin Septioga (author) (Search by this author)
Keyword
Generative model, GPT, Prediction, SMILES, Decarbonization
Date published
2025-05-22
Updated at
2025-12-10 08:30:26 +0900

c7cp08280k.pdf
Liquid electrolyte informatics using an exhaustive search with linear regression
Dataset
Creator
SODEYAMA, Keitaro (author) (Search by this author)
ORCID SAMURAI ;
IGARASHI, Yasuhiko (author) (Search by this author)
ORCID ;
NAKAYAMA, Tomofumi (author) (Search by this author)
ORCID ;
TATEYAMA, Yoshitaka (author) (Search by this author)
ORCID SAMURAI ;
OKADA, Masato (author) (Search by this author)
ORCID
Keyword
molecules, Li-ion battery, quantum chemistry calculations, materials informatics, Gaussian09, organic solvents
Date published
2018-06-14
Updated at
2024-02-08 17:54:30 +0900

Dataset
MDR SuperCon Datasheet Ver.240322
Dataset
Collection
MDR SuperCon Datasheet
Creator
Center for Basic Research on Materials (editor) (Search by this author)
National Institute for Materials Science
Keyword
SuperCon, Superconductors, Oxide, Metallic, Organic, Tc
Date published
Updated at
2024-05-14 16:30:16 +0900

Dataset
MDR SuperCon Datasheet Ver.220808
Dataset
Collection
MDR SuperCon Datasheet
Creator
Materials Database Group (editor) (Search by this author)
National Institute for Materials Science
Keyword
SuperCon, Superconductors, Oxide, Metallic, Organic, Tc
Date published
Updated at
2023-12-25 00:30:40 +0900

Cr2Ge2Te6_Manuscript_submit230607.pdf
Two-step electronic response to magnetic ordering in a van der Waals ferromagnet
Journal article
Creator
Han Wu (author) (Search by this author)
Rice University
;
Jian-Xin Zhu (author) (Search by this author)
Los Alamos National Laboratory
;
Lebing Chen (author) (Search by this author)
University of California at Berkeley
;
Matthew W. Butcher (author) (Search by this author)
Rice University
;
Ziqin Yue (author) (Search by this author)
Rice University
;
Dongsheng Yuan (author) (Search by this author)
Research Center for Electronic and Optical Materials/Optical Materials Field/Optical Single Crystals Group, National Institute for Materials Science
ORCID SAMURAI ;
Yu He (author) (Search by this author)
Yale University
;
Ji Seop Oh (author) (Search by this author)
Rice University
;
Bin Gao (author) (Search by this author)
Rice University
;
Jianwei Huang (author) (Search by this author)
Rice University
;
Shan Wu (author) (Search by this author)
University of California at Berkeley
;
Cheng Gong (author) (Search by this author)
University of Maryland, College Park
;
Yucheng Guo (author) (Search by this author)
Rice University
;
Sung-Kwan Mo (author) (Search by this author)
Lawrence Berkeley National Laboratory
;
Jonathan Denlinger (author) (Search by this author)
Lawrence Berkeley National Laboratory
;
Donghui Lu (author) (Search by this author)
SLAC National Accelerator Laboratory
;
Makoto Hashimoto (author) (Search by this author)
SLAC National Accelerator Laboratory
;
Matthew B. Stone (author) (Search by this author)
Oak Ridge National Laboratory (ORNL)
;
Alexander I. Kolesnikov (author) (Search by this author)
Oak Ridge National Laboratory (ORNL)
;
Songxue Chi (author) (Search by this author)
Oak Ridge National Laboratory (ORNL)
;
Junichiro Kono (author) (Search by this author)
Rice University
;
Andriy H. Nevidomskyy (author) (Search by this author)
Rice University
;
Robert J. Birgeneau (author) (Search by this author)
University of California at Berkeley
;
Pengcheng Dai (author) (Search by this author)
Rice University
;
Ming Yi (author) (Search by this author)
Rice University
Keyword
Magnetic order, Electronic structure, Magnetic phase transitions, Van der Waals systems, Angle-resolved photoemission spectroscopy
Date published
2024-01-12
Updated at
2024-11-19 16:30:44 +0900

IMFP VIII_Author Manuscript2.pdf
Calculations of electron inelastic mean free paths.VIII. Data for 15 elemental solids over the 50-2000 eV range
Journal article
Creator
TANUMA, Shigeo (author) (Search by this author)
ORCID SAMURAI ;
C.J. Powell (author) (Search by this author)
;
D.R. Penn (author) (Search by this author)
Keyword
IMFP, electron inelastic mean free path, Li, Be, diamond, graphite, Na, K, Sc, Ge, In, Sn, Cs, Gd, Tb, Dy, Al, TPP-2M equation, rare-earth elements
Date published
2005-01-10
Updated at
2024-01-05 22:13:47 +0900

d4qi02834a.pdf
J-dimers of phthalocyanine analogues: structural characterization and their use for determination of association constants between ligands and the central cation
Journal article
Creator
Jiri Demuth (author) (Search by this author)
ORCID ;
Stefan Bednarik (author) (Search by this author)
;
Radek Machan (author) (Search by this author)
;
Ivan Mocak (author) (Search by this author)
;
Tibor Malinsky (author) (Search by this author)
;
Mona Abo El Dahabova (author) (Search by this author)
;
Jakub Holcak (author) (Search by this author)
;
Miroslav Miletin (author) (Search by this author)
ORCID ; ORCID SAMURAI ;
Veronika Novakova (author) (Search by this author)
ORCID ;
Petr Zimcik (author) (Search by this author)
ORCID
Keyword
phthalocyanine, J-dimers, supramolecular system, association constant, ligand
Date published
2024-12-31
Updated at
2025-02-13 12:30:44 +0900

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