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書誌情報 | ファイル |
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Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization Seko, Atsuto; Togo, Atsushi; Hayashi, Hiroyuki; Tsuda, Koji; Chaput, Laurent; Tanaka, Isao (2015-11) Physical Review Letters, 115(20) | |
First-principles interatomic potentials for ten elemental metals via compressed sensing Seko, Atsuto; Takahashi, Akira; Tanaka, Isao (2015-08-31) Physical Review B, 92(5) | |
First principles phonon calculations in materials science Togo, Atsushi; Tanaka, Isao (2015-11) Scripta Materialia, 108: 1-5 | |
Special quasirandom structure in heterovalent ionic systems Seko, Atsuto; Tanaka, Isao (2015-01) Physical Review B, 91(2) | |
Efficient determination of alloy ground-state structures Seko, Atsuto; Shitara, Kazuki; Tanaka, Isao (2014-11-10) Physical Review B, 90(17) | |
Discovery of a Novel Sn(II)-Based Oxide β-SnMoO 4 for Daylight-Driven Photocatalysis Hayashi, Hiroyuki; Katayama, Shota; Komura, Takahiro; Hinuma, Yoyo; Yokoyama, Tomoyasu; Mibu, Ko; Oba, Fumiyasu; Tanaka, Isao (2016-08) Advanced Science | |
Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors Shibuya, Taizo; Skelton, Jonathan M.; Jackson, Adam J.; Yasuoka, Kenji; Togo, Atsushi; Tanaka, Isao; Walsh, Aron (2016-10) APL Materials, 4(10) | |
Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis. Hinuma, Yoyo; Hatakeyama, Taisuke; Kumagai, Yu; Burton, Lee A; Sato, Hikaru; Muraba, Yoshinori; Iimura, Soshi; Hiramatsu, Hidenori; Tanaka, Isao; Hosono, Hideo; Oba, Fumiyasu (2016-06-21) Nature communications, 7 | |
高精度第一原理計算に基づいた定量的な材料予測 : マテリアルズ・インフォマティクスの展開 田中, 功; 東後, 篤史; 世古, 敦人 (2011-06-11) セラミックス, 46(6): 450-455 | |
Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single- and binary-component solids Seko, Atsuto; Maekawa, Tomoya; Tsuda, Koji; Tanaka, Isao (2014-02) Physical Review B, 89(5) |
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