2022年度
2022年度の成果報告 (1/8)¶
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成果の種類 |
タイトル |
著者情報 |
会議・研究会・掲載誌名称・開催日・開催地等 |
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論文等 |
Global malaria infection risk from climate change |
Chao Li and Shunsuke Managi |
Environmental Research 2022 Vol. 214 Pages 114028 |
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論文等 |
Controllable Electronic and Spin Properties of MoS2-based van der Waals Heterostructures |
D. P. Hastuti1, K. Nawa, K. Nakamura |
24th International Colloquium on Magnetic Films and Surfaces, 2022/7/10-7/15, Okinawa |
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論文等 |
Prediction-accuracy improvement of neural network to ferromagnetic multilayers by Gaussian data augmentation and ensemble learning |
K. Nawa, K. Hagiwara, K. Nakamura |
Computational Materials Science 219, 112032, 2023 |
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論文等 |
Material design of multilayer films with spin-orbit induced magnetic phenomena: first principles study |
K. Nakamura |
The 2nd International Congress on Pure and Applied Sciences-2022, 2022/6/21-6/25, Online(Menkes, Morocco) |
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論文等 |
Electronic Structures of Graphene/MoS2 Heterostructure: Effects of Stacking Orientation, Element Substitution, and Interlayer Distance |
D. P. Hastuti1, K. Nawa, K. Nakamura |
Indonesian Journal of Chemistry, 23, 140-147, 2023 |
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論文等 |
First-Principles Study on Spin and Anomalous Hall Conductivities in Bilayers of Co and 5d Heavy Metals |
K. Nawa, M. Fukutani, K. Nakamura |
24th International Colloquium on Magnetic Films and Surfaces, 2022/7/10-7/15, Okinawa |
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論文等 |
Modification of plasmonic properties in several transition metal-doped graphene studied by the first principles method |
D. U. Dzujah, A.-M. Pradipto, R. Hidayat, K. Nakamura |
RSC Advances 13,1446–1454, 2023 |
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論文等 |
Crystal orientation dependence of spin Hall angle in epitaxial Pt/FeNi systems |
T. Ikebuchi, Y. Shiota, T. Ono, K. Nakamura, T. Moriyama |
Appl. Phys. Lett. 120, 072406/1-5, 2022 |
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論文等 |
First-principles LCPAO approach for insulators under finite electric fields with forces |
Naoya Yamaguchi, Fumiyuki Ishii |
Computer Physics Communications Volume 280, November 2022, 108487 https://doi.org/10.1016/j.cpc.2022.108487 https://doi.org/10.48550/arXiv.2203.10441 |
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論文等 |
First-principles calculation of anomalous Hall and Nernst conductivity by local Berry phase |
Hikaru Sawahata, Naoya Yamaguchi, Susumu Minami, Fumiyuki Ishii |
Physical Review B 107, 024404 https://doi.org/10.1103/PhysRevB.107.024404 https://doi.org/10.48550/arXiv.2204.05949 |
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論文等 |
First-principles study of anomalous hall effect and anomalous Nernst effect in Fe2Si |
Takahiro Tominaga, Naoya Yamaguchi, Hikaru Sawahata, Fumiyuki Ishii |
Japanese Journal of Applied Physics 62, SD1019 |
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論文等 |
Bandgap Change in Short-Period InN/AlN Superlattices Induced by Lattice Strain |
Takahiro Kawamura, Kouhei Basaki, Akito Korei, Toru Akiyama, and Yoshihiro Kangawa |
Phys. Status Solidi B 2023, 2200549 |
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論文等 |
First-principles study for self-limiting growth of GaN layers on AlN(0001) surface |
Haruka Sokudo, Toru Akiyama and Tomonori Ito |
Japanese Journal of Applied Physics 62, SC1014 (2023) |
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論文等 |
Effect of lattice constraint on structural stability and miscibility of (AlxGa1−x)2O3 films: a first-principles study |
S. Fujita, T. AKiyama, T. Kawamura, T. Ito |
Japanese Journal of Applied Physics 62, SC1014 (2023) |
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論文等 |
Role of charged oxygen vacancies and substrate lattice constraint on structural stability of Ga2O3 polymorphs |
Toru Akiyama, Takahiro Kawamura, Tomonori Ito |
Applied Physics Express 16, 015508 (2023) |
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論文等 |
Epitaxial Junction of Inversion Symmetry Breaking AlN and Centrosymmetric NbN: A Polarity Control of Wide-Bandgap AlN |
Atsushi Kobayashi, Shunya Kihira, Toru Akiyama, Takahiro Kawamura, Takuya Maeda, Kohei Ueno, and Hiroshi Fujioka |
ACS Applied Electronic Materials 5, 240-246 (2023). |
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論文等 |
An ab initio-based approach for the formation of pyramidal inversion domain boundaries in highly Mg-doped GaN |
Katsuhide Niki, Toru Akiyama, and Tomonori Ito |
Japanese Journal of Applied Physics 61, 055503 (2022) |
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論文等 |
Structures and stability of GaN/Ga2O3 interfaces: a first-principles study |
Fumiaki Hishiki, Toru Akiyama, Takahiro Kawamura, and Tomonori Ito |
Japanese Journal of Applied Physics 61, 065501 (2022) |
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論文等 |
Reaction of nitrous oxide and ammonia molecules at 4H-SiC/SiO2 interface: An ab initio study |
Toru Akiyama, Tsunashi Shimizu, Tomonori Ito, Hiroyuki Kageshima, Kenji Shiraishi |
Surface Science 723, 122102 (2022) |
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論文等 |
燃料電池用電解質膜へのマテリアルズインフォマティ クス適用に向けて |
加藤 幸一郎、東 悠貴人、Phua Yin Kan、藤ヶ谷 剛彦 |
第71回高分子討論会・2022年9月5日～7日・北海道大学 札幌キャンパス |
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論文等 |
シミュレーションとデータ科学手法によるプロトン交換膜 の相分離構造からの特徴抽出 |
東 悠貴人・藤ヶ谷 剛彦・ 加藤 幸一郎 |
第71回高分子討論会・2022年9月5日～7日・北海道大学 札幌キャンパス |
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論文等 |
多孔質炭素材料の細孔構造がインドールの選択的吸着に与える影響 |
赤峰 麻衣、田中 直樹、加藤 幸一郎、藤ヶ谷 剛彦 |
日本分析化学会第71年会・2022年9月14日～16日・岡山大学 |
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論文等 |
多孔質炭素材料の構造がインドールの選択的吸着に与える影響 |
赤峰 麻衣、田中 直樹、加藤 幸一郎、藤ヶ谷 剛彦 |
第59回化学関連支部合同九州大会・2022年7月2日・北九州国際会議場 |
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論文等 |
粗視化シミュレーションによるプロトン交換膜の相分離構造再現と位相幾何学的特徴探索 |
東 悠貴人、藤ヶ谷 剛彦、加藤 幸一郎 |
第59回化学関連支部合同九州大会・2022年7月2日・北九州国際会議場 |
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論文等 |
ortho-Substituted Aryldiazonium Design for the Defect Configuration-Controlled Photoluminescent Functionalization of Chiral Single-Walled Carbon Nanotubes |
Boda Yu , Sadahito Naka, Haruka Aoki, Koichiro Kato, Daiki Yamashita, Shun Fujii, Yuichiro K. Kato, Tsuyohiko Fujigaya, and Tomohiro Shiraki |
ACS Nano 2022, 16, 12, 21452–21461 |
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論文等 |
Perturbative study of large N principal chiral model with twisted reduction |
Antonio Gonzalez-Arroyo , Ken-Ichi Ishikawa , Yingbo Ji and Masanori Okawa |
International Journal of Modern Physics A, DOI: https://doi.org/10.1142/S0217751X22502104 |
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論文等 |
Scale setting for large-N SUSY Yang-Mills on the lattice |
Pietro Butti, Margarita García Pérez, Antonio González-Arroyo, Ken-Ichi Ishikawa, Masanori Okawa |
Journal of High Energy Physics volume 2022, Article number: 74 (2022) https://doi.org/10.1007/JHEP07%282022%29074 |
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論文等 |
Surface Diffusion-Limited Growth of Large and High-Quality Monolayer Transition Metal Dichalcogenides in Confined Space of Microreactor |
Hiroo Suzuki, Ryoki Hashimoto, Masaaki Misawa, Yijun Liu, Misaki Kishibuchi, Kentaro Ishimura, Kenji Tsuruta, Yasumitsu Miyata, Yasuhiko Hayashi |
ACS Nano 16(7) 11360-11373 2022年7月 |
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論文等 |
First-principles analysis of stearic acid adsorption on calcite (104) surface |
Narumi Machida, Masaaki Misawa, Yuki Kezuka, Kenji Tsuruta |
e-Journal of Surface Science and Nanotechnology 20(4) 261-265 2022年8月 |
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論文等 |
Defect-free and crystallinity-preserving ductile deformation in semiconducting Ag2S |
Masaaki Misawa, Hinata Hokyo, Shogo Fukushima, Kohei Shimamura, Akihide Koura, Fuyuki Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta |
Scientific Reports 12 19458 (8 pages) 2022年11月 |
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論文等 |
Self-Limiting Growth of Monolayer Tungsten Disulfide Nanoribbons on Tungsten Oxide Nanowires |
Hiroo Suzuki, Misaki Kishibuchi, Masaaki Misawa, Kazuma Shimogami, Soya Ochiai, Takahiro Kokura, Yijun Liu, Ryoki Hashimoto, Zheng Liu, Kenji Tsuruta, Yasumitsu Miyata, Yasuhiko Hayashi |
ACS Nano 2023年5月 |
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論文等 |
Intermediate State between MoSe2 and Janus MoSeS during Atomic Substitution Process |
Hiroo Suzuki, Yijun Liu, Masaaki Misawa, Chiyu Nakano, Yingzhe Wang, Ryo Nakano, Kentaro Ishimura, Kenji Tsuruta, Yasuhiko Hayashi |
Nano Letters 2023年5月 |
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論文等 |
Thermal conductivity calculation based on Green-Kubo formula with first-principles accuracy for β-Ag2Se |
Y. Takeshita, K. Shimamura, S. Fukushima, A. Koura, and F. Shimojo |
Journal of Physics and Chemistry of Solids 163, 110580 (8 pp.) (2022) |
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論文等 |
Importance of Adjusting Coefficients in Cost Function for Construction of High-Accuracy Machine-Learning Interatomic Potential |
A. Irie, K. Shimamura, A. Koura, and F. Shimojo |
Journal of the Physical Society of Japan 91, 045002 (2 pp.) (2022) |
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論文等 |
Exploring Far-from-Equilibrium Ultrafast Polarization Control in Ferroelectric Oxides with Excited-State Neural Network Quantum Molecular Dynamics |
T. Linker, K. Nomura, A. Aditya, S. Fukushima, R. Kalia, A. Krishnamoorthy, A. Nakano, P. Rajak, K. Shimamura, F. Shimojo, and P. Vashishta |
Science Advances 8, eabk2625 (7 pp.) (2022) |
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論文等 |
Hydrogen Bonding in Liquid Ammonia |
A. Krishnamoorthy, K. Nomura, N. Baradwaj, K. Shimamura, R. Ma, S. Fukushima, F. Shimojo, R. K. Kalia, A. Nakano, and P. Vashishta |
The Journal of Physical Chemistry Letters 13, 7051-7057 (2022) |
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論文等 |
Thickness Dependence of Dielectric Constant of Alumina Films Based on First-principles Calculations |
S. Fukushima, R. K. Kalia, A. Nakano, F. Shimojo, and P. Vashishta |
Applied Physics Letters 121, 062902 (5 pp.) (2022) |
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論文等 |
Towards computational polar-topotronics: Multiscale neural-network quantum molecular dynamics simulations of polar vortex states in SrTiO3/PbTiO3 nanowires |
T. Linker, S. Fukushima, R. K. Kalia, A. Krishnamoorthy, A. Nakano, K. Nomura, K. Shimamura, F. Shimojo, and P. Vashishta |
Frontiers in Nanotechnology 4:884149 (7 pp.) (2022) |
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論文等 |
Photoexcitation-induced nonthermal ultrafast loss of long-range order in GeTe |
L. Yang, S. C. Tiwari, S. Fukushima, F. Shimojo, R. K. Kalia, A. Nakano, P. Vashishta, and P. S. Branicio |
The Journal of Physical Chemistry Letters 13, 10230-10236, (2022) |
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論文等 |
Defect-free and crystallinity-preserving ductile deformation in semiconducting Ag2S |
M. Misawa, H. Hokyo, S. Fukushima, K. Shimamura, A. Koura, F. Shimojo, R. K. Kalia, A. Nakano, and P. Vashishta |
Scientific Reports 12, 19458 (8 pp.) (2022) |