東京大学大学院工学系研究科 マテリアル工学専攻 マテリアル機能講座 渡邉研究室

原著論文

原著論文

2025年

1. Kaito Kanahashi, Itsuki Tanaka, Tomonori Nishimura, Kohei Aso, Anh Khoa Augustin Lu, Satoru Morito, Limi Chen, Takafumi Kakeya, Satoshi Watanabe, Yoshifumi Oshima, Yukiko Yamada-Takamura, Keiji Ueno, Amin Azizi, Kosuke Nagashio,
   "Dimensionality-Induced Transition from Degenerate to Nondegenerate States in Nb-Doped WSe₂"
   ACS Nano 19, 10244 (2025).
   DOI: https://doi.org/10.1021/acsnano.4c17660

2024年

1. Anne Nicole P. Hipolito, Marianne A. Palmero, Viejay Z. Ordillo, Koji Shimizu, Darwin B. Putungan, Alexandra B. Santos-Putungan, Joey D. Ocon, Satoshi Watanabe, Karl Ezra S. Pilario, Allan Abraham B. Padama,
   "O- and OH-induced dopant segregation in single atom alloy surfaces: A combined density functional theory and machine learning study"
   Comput. Mater. Sci. 232, 112607 (2024).
   DOI: https://doi.org/10.1016/j.commatsci.2023.112607

2023年

1. Masahiro Ohno, Koji Shimizu, Satoshi Watanabe,
   "Realistic simulation of thermoelectric characteristics of organic semiconductors based on electronic structure calculations"
   Appl. Phys. Express 16, 011005 (2023).
   DOI: https://doi.org/10.35848/1882-0786/acaaee
   
2. Santanu Pal, Koji Shimizu, Sakila Khatun, Soumen Singha, Satoshi Watanabe, Poulomi Roy,
   "Electrolyte Engineering for Effective Seawater Splitting Based on Manganese Iron Chromium Layered Triple Hydroxides as Novel Bifunctional Electrocatalysts"
   J. Mater. Chem. A 11, 12151 (2023).
   DOI: https://doi.org/10.1039/D2TA09984E
3. Emi Minamitani, Ippei Obayashi, Koji Shimizu, Satoshi Watanabe,
   "Persistent homology-based descriptor for machine-learning potential of amorphous structures"
   J. Chem. Phys. 159, 084101 (2023).
   DOI: https://doi.org/10.1063/5.0159349
4. Koji Shimizu, Ryuji Otsuka, Masahiro Hara, Emi Minamitani, Satoshi Watanabe,
   "Prediction of Born effective charges using neural network to study ion migration under electric fields: applications to crystalline and amorphous Li₃PO₄"
   Sci. Technol. Adv. Mater.: Methods, 3, 2253135 (2023).
   DOI: https://doi.org/10.1080/27660400.2023.2253135

2022年

1. Shigeru Kobayashi, Elvis F. Arguelles, Tetsuroh Shirasawa, Shusuke Kasamatsu, Koji Shimizu, Kazunori Nishio, Yuki Watanabe, Yusuke Kubota, Ryota Shimizu, Satoshi Watanabe, Taro Hitosugi,
   "Drastic Reduction of the Solid Electrolyte-Electrode Interface Resistance via Annealing in Battery Form"
   ACS Appl. Mater. Interfaces 14, 2703 (2022).
   DOI: https://doi.org/10.1021/acsami.1c17945
   
2. Koji Shimizu, Ying Dou, Elvis F. Arguelles, Takumi Moriya, Emi Minamitani, Satoshi Watanabe,
   "Using neural network potentials to study defect formation and phonon properties of nitrogen vacancies with multiple charge states in GaN"
   Phys. Rev. B 106, 054108 (2022).
   DOI: https://doi.org/10.1103/PhysRevB.106.054108

2021年

1. Satoshi Watanabe, Wenwen Li, Wonseok Jeong, Dongheon Lee, Koji Shimizu, Emi Mimanitani, Yasunobu Ando and Seungwu Han,
   "High-dimensional neural network atomic potentials for examining energy materials: Some recent simulations"
   J. Phys.: Energy 3, 012003 (2021).
   DOI: https://doi.org/10.1088/2515-7655/abc7f3
2. Ryohei Doi, Koji Shimizu, Yuma Ikemoto, Masashi Uchiyama, Mikiko Koshiba, Atsushi Furukawa, Katsumi Maenaka, Satoshi Watanabe, Yoshihiro Sato,
   "Nickel‐Catalyzed Acyl Group Transfer of o‐Alkynylphenol Esters Accompanied by C−O Bond Fission for Synthesis of Benzo[b]furan"
   ChemCatChem 13, 1-8 (2021).
   DOI: https://doi.org/10.1002/cctc.202001949
3. Koji Shimizu, Elvis F. Arguelles, Wenwen Li, Yasunobu Ando, Emi Minamitani, and Satoshi Watanabe,
   "Phase stability of Au-Li binary systems studied using neural network potential"
   Phys. Rev. B 103, 094112 (2021).
   DOI: https://doi.org/10.1103/PhysRevB.103.094112
4. Kazunori Nishio, Tetsuroh Shirasawa, Koji Shimizu, Naoto Nakamura, Satoshi Watanabe, Ryota Shimizu, Taro Hitosugi,
   "Tuning the Schottky Barrier Height at the Interfaces of Metals and Mixed Conductors"
   ACS Appl. Mater. Interfaces 13, 15746 (2021).
   DOI: https://doi.org/10.1021/acsami.0c18656
5. Sakila Khatun, Koji Shimizu, Soumen Singha, Rajat Saha, Satoshi Watanabe, Poulomi Roy,
   "Defect enriched hierarchical iron promoted Bi₂MoO₆ hollow spheres as efficient electrocatalyst for water oxidation"
   Chem. Eng. J. 426, 131884 (2021).
   DOI: https://doi.org/10.1016/j.cej.2021.131884
6. Kazunori Nishio, Satoru Ichinokura, Akitaka Nakanishi, Koji Shimizu, Yasutaka Kobayashi, Naoto Nakamura, Daisuke Imazeki, Ryota Shimizu, Toru Hirahara, Satoshi Watanabe, Taro Hitosugi,
   "Ionic Rectification across Ionic and Mixed Conductor Interfaces"
   Nano Lett. 21, 10086 (2021).
   DOI: https://doi.org/10.1021/acs.nanolett.1c03872

2020年

1. Zeyuan Ni, Emi Minamitani, Kazuaki Kawahara, Ryuichi Arafune, Chun-Liang Lin, Noriaki Takagi, Satoshi Watanabe, 
   "Mechanically tunable spontaneous vertical charge redistribution in few-layer WTe₂"
   J. Phys. Chem. C 124 2008-2012 (2020).
   DOI: https://doi.org/10.1021/acs.jpcc.9b10423
2. Koji Shimizu, Wei Liu, Wenwen Li, Shusuke Kasamatsu, Yasunobu Ando, Emi Minamitani, Satoshi Watanabe, 
   "First-principles study of Li-ion distribution at γ−Li₃PO₄/metal interfaces"
   Phys. Rev. Mater. 4, 015402 (2020).
   DOI: https://doi.org/10.1103/PhysRevMaterials.4.015402
3. Poopodin Mano, Emi Minamitani, Sathoshi Watanabe, 
   "Straintronic effect for superconductivity enhancement in Li-intercalated bilayer MoS₂"
   Nanoscale Adv. 2, 3150 (2020).
   DOI: https://doi.org/10.1039/D0NA00420K
4. Jaekyun Hwang, Yuta Tanaka, Seiichiro Ishino, Satoshi Watanabe, 
   "Prediction of viscosity behavior in oxide glass materials using cation fingerprints with artificial neural networks"
   Sci. and Tech. Adv. Mater. 21, 492-504 (2020).
   DOI: https://doi.org/10.1080/14686996.2020.1786856
5. Zheng Li, Yan Xing, Satoshi Watanabe, Wei Pan,
   "The dependence of lattice thermal conductivity on phonon modes in pyrochlore-related Ln(2)Sn(2)O(7)(Ln = La, Gd)"
   J. Am. Ceram. Soc. 46, 9947 (2020).
   DOI: https://doi.org/10.1111/jace.17476
6. Wenwen Li, Yasunobu Ando, Satoshi Watanabe,
   "Effects of density and composition on the properties of amorphous alumina: A high-dimensional neural network potential study"
   J. Chem. Phys. 153, 164119 (2020).
   DOI: https://doi.org/10.1063/5.0026289
7. Nao H Shimada, Emi Minamitani, Satoshi Watanabe, 
   "Theoretical prediction of superconductivity in monolayer h-BN doped with alkaline-earth metals (Ca, Sr, Ba)"
   J. Phys.: Condens. Matter 32, 435002 (2020).
   DOI: https://doi.org/10.1088/1361-648X/aba674

2019年

1. Emi Minamitani, Masayoshi Ogura, Satoshi Watanabe,
   "Simulating lattice thermal conductivity in semiconducting materials using high-dimensional neural network potential".
   Appl. Phys. Express 12, 095001 (2019).
   DOI: https://doi.org/10.7567/1882-0786/ab36bc
2. Bo Xiao, Satoshi Watanabe,
   "Moisture effect on the diffusion of Cu ions in Cu/Ta₂O₅/Pt and Cu/SiO₂/Pt resistance switches: a first-principles study".
   Sci. Tech. Adv. Mater. 20, 580-588 (2019).
   DOI: https://doi.org/10.1080/14686996.2019.1616222
3. Bo Xiao, Xue-fang Yu, Satoshi Watanabe,
   "A Comparative Study on the Diffusion Behaviors of Metal and Oxygen Ions in Metal-Oxide Based Resistance Switches via Ab Initio Molecular Dynamics Simulations".
   ACS Appl. Electron. Mater. 1, 585−594 (2019).
   DOI: https://doi.org/10.1021/acsaelm.9b00049
4. Takashi Uchihashi, Shunsuke Yoshizawa, Emi Minamitani, Satoshi Watanabe, Yasumasa Takagi, Toshihiko Yokoyama,
   "Persistent superconductivity in atomic layer-magnetic molecule van der Waals heterostructures: a comparative study".
   Mol. Syst. Des. Eng. 4, 511-518 (2019).
   DOI: https://doi.org/10.1039/C9ME00017H

2018年

1. E. Minamitani, N. Takagi, R. Arafune, T. Frederiksen, T. Komeda, H. Ueba, S. Watanabe,
   "Inelastic electron tunneling spectroscopy by STM of phonon at solid surfaces and interfaces".
   Progress in Surface Science 93, 131-145 (2018).
   DOI: https://doi.org/10.1016/j.progsurf.2018.09.002
2. Masato Hamada, Emi Minamitani, Motoaki Hirayama, Shuichi Murakami,
   "Phonon Angular Momentum Induced by the Temperature Gradient".
   Phys. Rev. Lett. 121, 175301 (2018).
   DOI: https://doi.org/10.1103/PhysRevLett.121.175301
3. Nana KM Nazriq, E Minamitani, TK Yamada,
   "CO-tip manipulation using repulsive interactions".
   Nanotechnology 29, 495701 (2018).
   DOI: https://doi.org/10.1088/1361-6528/aae0df
4. Zeyuan Ni, Emi Minamitani, Kazuaki Kawahara, Ryuichi Arafune, Chun-Liang Lin, Noriaki Takagi, Satoshi Watanabe,
   "Mechanically tunable spontaneous vertical charge redistribution in few-layer WTe₂".
   submitted
5. Chun-Liang Lin, Ryuichi Arafune, Emi Minamitani, Maki Kawai, Noriaki Takagi,
   "Quasiparticle scattering in type-II Weyl semimetal MoTe₂".
   Journal 30, 105703 (2018).
   DOI: https://doi.org/10.1088/1361-648X/aaab95

2017年

1. Wenwen Li, Yasunobu Ando, Emi Minamitani, and Satoshi Watanabe,
   "Study of Li atom diffusion in amorphous Li₃PO₄ with neural network potential".
   J. Chem. Phys. 147, 214106 (2017).
   DOI: https://doi.org/10.1063/1.4997242
2. Chun-Liang Lin, Ryuichi Arafune, Ro-Ya Liu, Masato Yoshimura, Baojie Feng, Kazuaki Kawahara, Zeyuan Ni, Emi Minamitani, Satoshi Watanabe, Youguo Shi, Maki Kawai, Tai-Chang Chiang, Iwao Matsuda, and Noriaki Takag,
   "Visualizing Type-II Weyl Points in Tungsten Ditelluride by Quasiparticle Interference".
   ACS Nano 11, 11459-11465 (2017).
   DOI: https://doi.org/10.1021/acsnano.7b06179
3. Emi Minamitani, Ryuichi Arafune, Thomas Frederiksen, Tetsuya Suzuki, Syed Mohammad Fakruddin Shahed, Tomohiro Kobayashi, Norifumi Endo, Hirokazu Fukidome, Satoshi Watanabe, and Tadahiro Komeda,
   "Atomic-scale characterization of the interfacial phonon in graphene/SiC".
   Phys. Rev. B 96, 155431 (2017).
   DOI: https://doi.org/10.1103/PhysRevB.96.155431
4. Z. Ni, E. Minamitani, Y. Ando, S. Watanabe,
   "Germanene and stanene on two-dimensional substrates: Dirac cone and Z₂ invariant".
   Phys. Rev. B 96, 075427 (2017).
   DOI: https://doi.org/10.1103/PhysRevB.96.075427
5. N. H. Shimada, E. Minamitani, S. Watanabe,
   "Theoretical prediction of phonon-mediated superconductivity with T_c ≈25 K in Li-intercalated h-BN bilayer".
   Appl. Phys. Express 10, 093101 (2017).
   DOI: https://doi.org/10.7567/APEX.10.093101
6. Wenwen Li, Yasunobu Ando, Satoshi Watanabe,
   "Cu Diffusion in Amorphous Ta₂O₅ Studied with a Simplified Neural Network Potential".
   J. Phys. Soc. Jpn 86, 104004 (2017).
   DOI: https://doi.org/10.7566/JPSJ.86.104004
7. R. Hiraoka, E. Minamitani, R. Arafune, N. Tsukahara, S. Watanabe, M. Kawai, and N. Takagi, "Single-Molecule Quantum Dot as a Kondo Simulator".
   Nat. Commun. 8, 16012 (2017).
   DOI: https://doi.org/10.1038/ncomms16012
   Press release: http://www.t.u-tokyo.ac.jp/foe/press/setnws_201707031153301221691370.html
8. Shunsuke Yoshizawa, Emi Minamitani, Saranyan Vijayaraghavan, Puneet Mishra, Yasumasa Takagi, Toshihiko Yokoyama, Hiroaki Oba, Jun Nitta, Kazuyuki Sakamoto, Satoshi Watanabe, Tomonobu Nakayama, and Takashi Uchihashi,
   "Controlled Modification of Superconductivity in Epitaxial Atomic Layer–Organic Molecule Heterostructures".
   Nano Lett. 17, 2287 (2017).
   DOI: https://doi.org/10.1021/acs.nanolett.6b05010
   Press release: https://www.t.u-tokyo.ac.jp/shared/press/data/setnws_20170410104134201114578740_034254.pdf
9. Yoshinori Okada, Yasunobu Ando, Ryota Shimizu, Emi Minamitani, Susumu Shiraki, Satoshi Watanabe, and Taro Hitosugi,
   "Scanning tunneling spectroscopy of superconductivity on surfaces of LiTi₂O₄(111) thin films".
   Nat. Commun. 8, 15975 (2017).
   DOI: https://doi.org/10.1038/ncomms15975
10. Kazuaki Kawahara, Zeyuan Ni, Ryuichi Arafune, Tetsuroh Shirasawa, Chun-Liang Lin, Emi Minamitani, Satoshi Watanabe, Maki Kawai and Noriaki Takagi,
    "Surface structure of novel semimetal WTe₂".
    Appl. Phys. Express 10, 045702 (2017).
    DOI: https://doi.org/10.7567/APEX.10.045702

2016年

1. Hyo Won Kim, Seiji Takemoto, Emi Minamitani, Tomonari Okada, Takeshi Takami, Kenta Motobayashi, Michael Trenary, Maki Kawai, Nobuhiko Kobayashi, Yousoo Kim,
   "Confinement of the Pt (111) Surface State in Graphene Nanoislands".
   J. Phys. Chem. C 120(1), 345–349 (2016).
   DOI: https://doi.org/10.1021/acs.jpcc.5b10040
2. M Kajihara, T Suzuki, SMF Shahed, T Komeda, E Minamitani, S Watanabe,
   "DFT calculations on atom-specific electronic properties of G/SiC (0001)".
   Surface Science 647, 39–44 (2016).
   DOI: https://doi.org/10.1016/j.susc.2015.12.004
3. Emi Minamitani, Ryuichi Arafune, Noriyuki Tsukahara, Yoshitaka Ohda, Satoshi Watanabe, Maki Kawai, Hiromu Ueba, and Noriaki Takagi,
   "Surface phonon excitation on clean metal surfaces in scanning tunneling microscopy".
   Phys. Rev. B 93, 085411 (2016).
   DOI: https://doi.org/10.1103/PhysRevB.93.085411
4. Yutaro Mori, Emi Minamitani, Yasunobu Ando, Shusuke Kasamatsu, Satoshi Watanabe,
   "Electric field response in bilayer graphene: Ab initio investigation".
   Applied Physics Express 9(11), 115104 (2016).
   DOI: https://doi.org/10.7567/APEX.9.115104
5. Emi Minamitani, Noriaki Takagi, Satoshi Watanabe,
   "Model Hamiltonian approach to the magnetic anisotropy of iron phthalocyanine at solid surfaces".
   Phys. Rev. B 94, 205402 (2016).
   DOI: https://doi.org/10.1103/PhysRevB.94.205402

2015年

1. 安藤 康伸, 藤掛 壮, 渡邉 聡,
   "マテリアルズ・インフォマティクスによる分子電気伝導シミュレーション解析の試み".
   表面科学 36, 515 (2015).
   DOI: https://doi.org/10.1380/jsssj.36.515
2. J. Hwang, Y. Ando, and S. Watanabe,
   "Materials Search of Perovskite Cathode in SOFC by Statistical Analysis".
   ECS Trans. 68(1), 549 (2015).
   DOI: https://doi.org/10.1149/06801.0549ecst
3. E. Minamitani, Y. Fu, Q.-K. Xue, Y. Kim, S. Watanabe,
   "Spatially extended underscreened Kondo state from collective molecular spin".
   Phys. Rev. B 92 (7), 075144 (2015).
   DOI: https://doi.org/10.1103/PhysRevB.92.075144
4. Z. Ni, E. Minamitani, Y. Ando, and S. Watanabe,
   "Electronic Structure of Quasi-free-standing Germanene on Monolayer MX (M=Ga, In; X=S, Se, Te)".
   Phys. Chem. Chem. Phys. 17, 19039-19044 (2015).
   DOI: https://doi.org/10.1039/C5CP02428E
5. H. Ishida, Y. Hamamoto, Y. Morikawa, E. Minamitani, R. Arafune, N. Takagi,
   "Electronic structure of the 4×4silicenemonolayer on semi-infinite Ag(111)".
   New. J. Phys. 17, 015013 (2015).
   DOI: https://doi.org/10.1088/1367-2630/17/1/015013
6. N. Takagi, C.-L. Lin, K. Kawahara, E. Minamitani, N. Tsukahara, M. Kawai, R. Arafune,
   "Silicene on Ag (111): Geometric and electronic structures of a new honeycomb material of Si".
   Prog. Surf. Sci. 90, 1-20 (2015).
   DOI: https://doi.org/10.1016/j.progsurf.2014.10.001
7. Keiji Doi, Emi Minamitani, Shunji Yamamoto, Ryuichi Arafune, Yasuo Yoshida, Satoshi Watanabe, Yukio Hasegawa,
   "Electronic and magnetic effects of a stacking fault in cobalt nanoscale islands on the Ag (111) surface".
   Phys. Rev. B. 92(6), 064421 (2015).
   DOI: https://doi.org/10.1103/PhysRevB.92.064421

原著論文 （2011年～2014年）

学会・研究会・国際会議発表

2019年

1. (Oral) Jaekyun HWANG, Satoshi WATANABE
   "Prediction of Material Properties Using a Novel Descriptor "Elemental Fingerprints" Made from Chemical Formula"
   10th International Conference on Materials for Advanced Technologies (ICMAT), Marina Bay Sands (Singapore), 2019/06/23-28.
2. (Poster) Hirotaka Morishita, William Huxter, Chandra Singh, Jun Nogami, Koji Shimizu, Satoshi Watanabe
   "Theoretical Analysis based on First-principles Method toward Understanding Ag Thin Layer Growth on Si(001) Substrate"
   The 1st University of Toronto, McMaster University and the University of Tokyo Joint Workshop “Engineering for A Brighter Future”, University of Toronto (Canada), 2019/06/26-28.
3. (Invited) 渡邉 聡
   「機械学習による原子間ポテンシャル：現状と展望」
   応物Siテク研究会 第218回研究集会, 応用物理学会　応物会館 (東京都・文京区), 2019/07/12.
4. (Oral) Satoshi Watanabe, Koji Shimizu, Takanori Moriya, Masayoshi Ogura, Wei Liu, Wenwen Li, Yasunobu Ando, Emi Minamitani
   "Development and Application of Neural Network Interatomic Potentials for Ion Migration, Phonon-related Properties, and Interface Structures"
   the 10th Biennial International Conference of The Asian Consortium on Computational Materials Science (ACCMS-10), City University of Hong Kong (China), 2019/07/27.
5. (Poster) 原 聡一郎, 渡邉 聡, 南谷 英美
   「二次元トポロジカル絶縁体の欠陥物性に関する理論計算」
   日本物理学会2019年秋季大会, 岐阜大学 (岐阜県岐阜市), 2019/09/10-13.
6. (Poster) マノー プーボディン, 南谷 英美, 渡邉 聡
   「Li添加2層MoS₂における超伝導に対するひずみの影響の第一原理解析」
   日本物理学会2019年秋季大会, 岐阜大学 (岐阜県岐阜市), 2019/09/10-13.
7. (Poster) 樽岡 裕司, 南谷 英美, 渡邉 聡
   「鉄系超伝導体LiFeAsにおける欠陥の第一原理計算」
   日本物理学会2019年秋季大会, 岐阜大学 (岐阜県岐阜市), 2019/09/10-13.
8. (Poster) 原田 樹, 渡邉 聡, 南谷 英美
   「グラフェンにおける電子フォノン相互作用行列要素の第一原理解析」
   日本物理学会2019年秋季大会, 岐阜大学 (岐阜県岐阜市), 2019/09/10-13.
9. (Invited) 渡邉 聡
   「固体中の原子ダイナミクス解析のためのニューラルネットワーク原子間ポテンシャル」
   第29回格子欠陥フォーラム「格子欠陥とマテリアルズ・インフォマティクス」, 豊田工業大学 (愛知県名古屋市), 2019/09/14-15.
10. (Oral) Masahiro Ohno
    "Accurate measurement and calculation of thermoelectric properties of small-molecule organic semiconductors"
    15th UT-SNU-TU Student Workshop, Seoul National University (Korea), 2019/10/08-11.

 

学会・研究会・国際会議発表（2011年～2014年）