33 records found. Displaying records 1 to 10.

Dataset
Input and Output Data for "Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles"
Dataset
Creator
Terumasa Tadano (author) (Search by this author)
;
Shinji Tsuneyuki (author) (Search by this author)
Keyword
Clathrates, First-principles calculation, Phonon, Lattice thermal conductivity
Date published
2018-03-07
Updated at
2026-08-19 16:57:17 +0900
Dataset
Input and Output Data for "Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study"
Dataset
Creator
Terumasa Tadano (author) (Search by this author)
;
Yoshihiro Gohda (author) (Search by this author)
;
Shinji Tsuneyuki (author) (Search by this author)
Keyword
Clathrates, First-principles calculation, Phonon, Lattice thermal conductivity
Date published
2015-03-04
Updated at
2026-08-18 15:46:45 +0900
Main Article.docx
Simultaneous enhancement of power factor and suppression of thermal conductivity in bulk TlFe 1.6 Se 2 via embedded atomically thin FeSe layers
Journal article
Creator
Xinyi He (author) (Search by this author)
;
Katsuma Ogata (author) (Search by this author)
; ORCID SAMURAI ;
Hidenori Hiramatsu (author) (Search by this author)
;
Toshio Kamiya (author) (Search by this author)
;
Takayoshi Katase (author) (Search by this author)
ORCID
Keyword
Thermoelectricity, Thermal conductivity
Date published
2026-04-30
Updated at
2026-07-10 08:51:05 +0900
giant-lattice-expansion-through-structural-frustration-release-in-a-dense-oxide.pdf
Giant Lattice Expansion through Structural Frustration Release in a Dense Oxide
Journal article
Creator
ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI
Keyword
High-pressure synthesis, Irreversible expansion, Barium ruthenate, Atomic rearrangement, Thermal stress control
Date published
2026-06-03
Updated at
2026-06-04 15:54:31 +0900
s41524-026-02033-w.pdf
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
Journal article
Creator
Masato Ohnishi (author) (Search by this author)
;
Tianqi Deng (author) (Search by this author)
;
Pol Torres (author) (Search by this author)
;
Zhihao Xu (author) (Search by this author)
; ORCID SAMURAI ;
Haoming Zhang (author) (Search by this author)
;
Wei Nong (author) (Search by this author)
;
Masatoshi Hanai (author) (Search by this author)
;
Zeyu Wang (author) (Search by this author)
;
Michimasa Morita (author) (Search by this author)
;
Zhiting Tian (author) (Search by this author)
;
Ming Hu (author) (Search by this author)
;
Xiulin Ruan (author) (Search by this author)
;
Ryo Yoshida (author) (Search by this author)
;
Toyotaro Suzumura (author) (Search by this author)
;
Lucas Lindsay (author) (Search by this author)
;
Alan J. H. McGaughey (author) (Search by this author)
;
Tengfei Luo (author) (Search by this author)
;
Kedar Hippalgaonkar (author) (Search by this author)
;
Junichiro Shiomi (author) (Search by this author)
Keyword
Thermal conductivity, Phonon, First-principles calculation
Date published
2026-04-13
Updated at
2026-05-12 08:46:56 +0900
sciadv.adt3886.pdf
Lattice softening and diffusive dynamics in the polar metal LiReO 3
Journal article
Creator
Kantaro Murayama (author) (Search by this author)
ORCID ;
Ryota Masuki (author) (Search by this author)
ORCID ;
Cédric Tassel (author) (Search by this author)
ORCID ;
Hideaki Sakai (author) (Search by this author)
ORCID ;
Tatsuya Yanagisawa (author) (Search by this author)
ORCID ;
Keito Yoshida (author) (Search by this author)
; ORCID SAMURAI ;
Suguru Yoshida (author) (Search by this author)
ORCID ;
Xiangyu Gu (author) (Search by this author)
;
Kohdai Ishida (author) (Search by this author)
ORCID ;
Morito Namba (author) (Search by this author)
ORCID ;
Ksenia Denisova (author) (Search by this author)
ORCID ;
Valérie Dupray (author) (Search by this author)
;
Simon Clevers (author) (Search by this author)
ORCID ;
Olivier Mentré (author) (Search by this author)
ORCID ;
Takuya Nomoto (author) (Search by this author)
ORCID ; ORCID SAMURAI ;
Craig M. Brown (author) (Search by this author)
ORCID ;
Peter Lemmens (author) (Search by this author)
ORCID ;
Ryotaro Arita (author) (Search by this author)
ORCID ;
Hiroshi Takatsu (author) (Search by this author)
ORCID ;
Hiroshi Kageyama (author) (Search by this author)
ORCID
Keyword
Polar metal, lattice dynamics, phase transition
Date published
2026-04-03
Updated at
2026-04-07 10:28:05 +0900
s41524-026-02013-0.pdf
Accurate screening of functional materials with machine-learning potential and transfer-learned regressions: Heusler alloy benchmark
Journal article
Creator
Enda Xiao (author) (Search by this author)
ORCID ; ORCID SAMURAI
Keyword
Heusler alloys, Machine-learning potential, Transfer learning, First-principles calculation, Curie temperature, Magnetic anisotropy energy
Date published
2026-02-19
Updated at
2026-03-30 13:06:06 +0900
Advanced Materials - 2025 - Tang - Control of Covalent Bond Enables Efficient Magnetic Cooling.pdf
Control of Covalent Bond Enables Efficient Magnetic Cooling
Journal article
Creator
ORCID SAMURAI ;
Yoshio Miura (author) (Search by this author)
; ORCID SAMURAI ;
Enda Xiao (author) (Search by this author)
ORCID ;
Shintaro Kobayashi (author) (Search by this author)
;
Allan Döring (author) (Search by this author)
; ORCID SAMURAI ; ORCID SAMURAI ;
Takuo Ohkochi (author) (Search by this author)
;
Shogo Kawaguchi (author) (Search by this author)
; ORCID SAMURAI ; ORCID SAMURAI ;
Tetsuya Nakamura (author) (Search by this author)
;
Konstantin Skokov (author) (Search by this author)
;
Oliver Gutfleisch (author) (Search by this author)
; ORCID SAMURAI ; ORCID SAMURAI
Keyword
magnetocaloric materials, hydrogen liquefaction
Date published
2025-12-17
Updated at
2026-01-14 14:47:52 +0900
251204 Ammmonia ACS OMEGA+SI 10(2025)57684-57691.pdf
Mechanism of Solid Ammonia Stabilization at Ambient Temperature: Insights from Thermodynamics, Phonon Calculation, and Micromechanics
Journal article
Creator
Masao Morishita (author) (Search by this author)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI
Keyword
Solid state ammonia, Phase stability, Thermodynanmics, Phonon calculation, Micromechanics, Hydrogen storage material
Date published
2025-12-02
Updated at
2025-12-05 16:30:15 +0900
McGaughey et al. 2025 - Phonon Olympics - Phonon property and lattice thermal conductivity benchmarking from open-source packages.pdf
Phonon Olympics: Phonon property and lattice thermal conductivity benchmarking from open-source packages
Journal article
Creator
Alan J. H. McGaughey (author) (Search by this author)
ORCID ;
Lucas Lindsay (author) (Search by this author)
ORCID ;
Hua Bao (author) (Search by this author)
ORCID ;
Tomu Hamakawa (author) (Search by this author)
ORCID ;
Rinkle Juneja (author) (Search by this author)
ORCID ;
Shouhang Li (author) (Search by this author)
ORCID ; ORCID ;
Ryota Masuki (author) (Search by this author)
;
Fanchen Meng (author) (Search by this author)
ORCID ;
Han Meng (author) (Search by this author)
;
Tribhuwan Pandey (author) (Search by this author)
ORCID ;
Cheng Shao (author) (Search by this author)
ORCID ;
Junichiro Shiomi (author) (Search by this author)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI ;
Ao Wang (author) (Search by this author)
ORCID ;
Xinyu Zhang (author) (Search by this author)
ORCID
Keyword
phonon, first-principles calculation, lattice thermal conductivity
Date published
2025-10-07
Updated at
2025-11-13 12:30:10 +0900
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