Implementation strategies in phonopy and phono3py von Togo, Atsushi, Chaput, Laurent, Tadano, Terumasa, Tanaka, Isao

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DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations von Carreras, Abel, Togo, Atsushi, Tanaka, Isao

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Band structure diagram paths based on crystallography von Hinuma, Yoyo, Pizzi, Giovanni, Kumagai, Yu, Oba, Fumiyasu, Tanaka, Isao

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Representation of compounds for machine-learning prediction of physical properties von Seko, Atsuto, Hayashi, Hiroyuki, Nakayama, Keita, Takahashi, Akira, Tanaka, Isao

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Prediction model of band gap for inorganic compounds by combination of density functional theory calculations and machine learning techniques von Lee, Joohwi, Seko, Atsuto, Shitara, Kazuki, Nakayama, Keita, Tanaka, Isao

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Distributions of phonon lifetimes in Brillouin zones von Togo, Atsushi, Chaput, Laurent, Tanaka, Isao

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Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power von Takahashi, Akira, Seko, Atsuto, Tanaka, Isao

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Compositional descriptor-based recommender system for the materials discovery von Seko, Atsuto, Hayashi, Hiroyuki, Tanaka, Isao

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Impact of Chemical Fluctuations on Stacking Fault Energies of CrCoNi and CrMnFeCoNi High Entropy Alloys from First Principles von Ikeda, Yuji, Körmann, Fritz, Tanaka, Isao, Neugebauer, Jörg

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Dual-Energy Spectral CT: Various Clinical Vascular Applications von Machida, Haruhiko, Tanaka, Isao, Fukui, Rika, Shen, Yun, Ishikawa, Takuya, Tate, Etsuko, Ueno, Eiko

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Defect energetics in ZnO: A hybrid Hartree-Fock density functional study von Oba, Fumiyasu, Togo, Atsushi, Tanaka, Isao, Paier, Joachim, Kresse, Georg

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Synthesis‐condition recommender system discovers novel inorganic oxides von Hayashi, Hiroyuki, Kouzai, Keita, Morimitsu, Yuta, Tanaka, Isao

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Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions von Skelton, Jonathan M, Burton, Lee A, Parker, Stephen C, Walsh, Aron, Kim, Chang-Eun, Soon, Aloysius, Buckeridge, John, Sokol, Alexey A, Catlow, C Richard A, Togo, Atsushi, Tanaka, Isao

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Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis von Hinuma, Yoyo, Hatakeyama, Taisuke, Kumagai, Yu, Burton, Lee A., Sato, Hikaru, Muraba, Yoshinori, Iimura, Soshi, Hiramatsu, Hidenori, Tanaka, Isao, Hosono, Hideo, Oba, Fumiyasu

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Application of machine learning potentials to predict grain boundary properties in fcc elemental metals von Nishiyama, Takayuki, Seko, Atsuto, Tanaka, Isao

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Point defects in ZnO: an approach from first principles von Oba, Fumiyasu, Choi, Minseok, Togo, Atsushi, Tanaka, Isao

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Pure H⁻ conduction in oxyhydrides von Kobayashi, Genki, Hinuma, Yoyo, Matsuoka, Shinji, Watanabe, Akihiro, Iqbal, Muhammad, Hirayama, Masaaki, Yonemura, Masao, Kamiyama, Takashi, Tanaka, Isao, Kanno, Ryoji

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Strategy for managing both high strength and large ductility in structural materials–sequential nucleation of different deformation modes based on a concept of plaston von Tsuji, Nobuhiro, Ogata, Shigenobu, Inui, Haruyuki, Tanaka, Isao, Kishida, Kyosuke, Gao, Si, Mao, Wenqi, Bai, Yu, Zheng, Ruixiao, Du, Jun-Ping

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Conceptual and practical bases for the high accuracy of machine learning interatomic potentials: Application to elemental titanium von Takahashi, Akira, Seko, Atsuto, Tanaka, Isao

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Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors von Skelton, Jonathan M, Tiana, Davide, Parker, Stephen C, Togo, Atsushi, Tanaka, Isao, Walsh, Aron

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