論文

• Takeru Nakashima, Ikuma Tateishi, Yuki Tsujikawa, Masafumi Horio, Takahiro Kondo, Iwao Matsuda, Yasunobu Ando. Phase stability and band degeneracy of quasi-one-dimensional boron chain polymorphs embedded in LiB crystals, Physical Review B, Apr. 2024.  公式リンク  
  
• Kosuke Kawai, Yasunobu Ando, Masashi Okubo. Machine Learning‐Assisted Survey on Charge Storage of MXenes in Aqueous Electrolytes, Small Methods, Mar. 2024.  公式リンク  
  
• Han Xu, Ryo Nakayama, Takefumi Kimura, Ryota Shimizu, Yasunobu Ando, Shigeru Kobayashi, Nobuaki Yasuo, Masakazu Sekijima, Taro Hitosugi. Tuning Bayesian optimization for materials synthesis: simulating two- and three-dimensional cases, Science and Technology of Advanced Materials: Methods, Dec. 2023.  公式リンク  
  
• Tarojiro Matsumura, Naoka Nagamura, Shotaro Akaho, Kenji Nagata, Yasunobu Ando. High-throughput XPS spectrum modeling with autonomous background subtraction for 3 d 5/2 peak mapping of SnS, Science and Technology of Advanced Materials: Methods, Dec. 2023.  公式リンク  
  
• Han Xu, Ryo Nakayama, Takefumi Kimura, Ryota Shimizu, Yasunobu Ando, Shigeru Kobayashi, Nobuaki Yasuo, Masakazu Sekijima, Taro Hitosugi. Tuning Bayesian optimization for materials synthesis: simulating two- and three-dimensional cases, Science and Technology of Advanced Materials: Methods, Dec. 2023.  公式リンク  
  
• Shigeru Kobayashi, Ryota Shimizu, Yasunobu Ando, Taro Hitosugi. Autonomous Exploration of an Unexpected Electrode Material for Lithium Batteries, ACS Materials Letters, Oct. 2023.  公式リンク  
  
• Minh-Quyet Ha, Duong-Nguyen Nguyen, Viet-Cuong Nguyen, Hiori Kino, Yasunobu Ando, Takashi Miyake, Thierry Denœux, Van-Nam Huynh, Hieu-Chi Dam. Evidence-based data mining method to reveal similarities between materials based on physical mechanisms, Journal of Applied Physics, Feb. 2023.  公式リンク  
  
• Hiroshi Ando, Masafumi Horio, Yoko Takeo, Masahito Niibe, Tetsuya Wada, Yasunobu Ando, Takahiro Kondo, Takashi Kimura, Iwao Matsuda. Developing a Simple Scanning Probe System for Soft X-ray Spectroscopy with a Nano-focusing Mirror, e-Journal of Surface Science and Nanotechnology, Feb. 2023.  公式リンク  
  
• Yasunobu Ando, Takeru Nakashima, Heming Yin, Ikuma Tateishi, Xiaoni Zhang, Yuki Tsujikawa, Masafumi Horio, Nguyen Thanh Cuong, Susumu Okada, Takahiro Kondo, Iwao Matsuda. Prediction of a Cyclic Hydrogenated Boron Molecule as a Promising Building Block for Borophane, Molecules, Jan. 2023.  公式リンク  
  
• Ryo Nakayama, Ryota Shimizu, Taishi Haga, Takefumi Kimura, Yasunobu Ando, Shigeru Kobayashi, Nobuaki Yasuo, Masakazu Sekijima, Taro Hitosugi. Tuning of Bayesian optimization for materials synthesis: simulation of the one-dimensional case, Science and Technology of Advanced Materials: Methods, Dec. 2022.  公式リンク  
  
• Yuki Tsujikawa, Masafumi Horio, Xiaoni Zhang, Tomoaki Senoo, Takeru Nakashima, Yasunobu Ando, Taisuke Ozaki, Izumi Mochizuki, Ken Wada, Toshio Hyodo, Takushi Iimori, Fumio Komori, Takahiro Kondo, Iwao Matsuda. Structural and electronic evidence of boron atomic chains, Physical Review B, Nov. 2022.  公式リンク  
  
• Yasunobu Ando, Xiaoni Zhang, Yuki Tsujikawa, Yusuke Sato, Masafumi Horio, Jun Haruyama, Osamu Sugino, Takahiro Kondo, Iwao Matsuda. Homotopic analysis of quantum states in two-dimensional polymorphs by a herringbone lattice model, Physical Review B, Nov. 2022.  公式リンク  
  
• Xiaoni Zhang, Yuki Tsujikawa, Ikuma Tateishi, Masahito Niibe, Tetsuya Wada, Masafumi Horio, Miwa Hikichi, Yasunobu Ando, Kunio Yubuta, Takahiro Kondo, Iwao Matsuda. Electronic Topological Transition of 2D Boron by the Ion Exchange Reaction, The Journal of Physical Chemistry C, Aug. 2022.  公式リンク  
  
• Yasunobu Ando, Tatau Shimada, Norio Takenaka, Yasunobu Ando, Minoru Otani, Masashi Okubo, Atsuo Yamada. Relationship between Electric Double-Layer Structure of MXene Electrode and Its Surface Functional Groups, Chemistry of Materials, Vol. 34, No. 5, pp. 2069-2075, Mar. 2022.  公式リンク  
  
• Satoshi Hagiwara, Yasunobu Ando, Yuta Goto, Susumu Shinoki, Minoru Otani. Electronic, adsorption, and hydration structures of water-contained Na-montmorillonite and Na-beidellite through the first-principles method combined with the classical solution theory, Physical Review Materials, Feb. 2022.  公式リンク  
  
• T. Matsumura, Y. Kuwayama, K. Ueki, T. Kuwatani, Y. Ando, K. Nagata, S. Ito, H. Nagao, Yasunobu Ando. Bayesian Modeling of the Equation of State for Liquid Iron in Earth's Outer Core, Journal of Geophysical Research: Solid Earth, Vol. 126, No. 12, Dec. 2021.  公式リンク  
  
• Mitsuhiro Okada, Naoka Nagamura, Tarojiro Matsumura, Yasunobu Ando, Anh Khoa Augustin Lu, Naoya Okada, Wen-Hsin Chang, Takeshi Nakanishi, Tetsuo Shimizu, Toshitaka Kubo, Toshifumi Irisawa, Takatoshi Yamada. Growth of MoS2–Nb-doped MoS2 lateral homojunctions: A monolayer p–n diode by substitutional doping, APL Materials, Dec. 2021.  公式リンク  
  
• Koji Shimizu, Elvis F. Arguelles, Wenwen Li, Yasunobu Ando, Emi Minamitani, Satoshi Watanabe. Phase stability of Au-Li binary systems studied using neural network potential, Physical Review B, Mar. 2021.  公式リンク  
  
• Satoshi Watanabe, Wenwen Li, Wonseok Jeong, Dongheon Lee, Koji Shimizu, Emi Mimanitani, Yasunobu Ando, Seungwu Han. High-dimensional neural network atomic potentials for examining energy materials: some recent simulations, Journal of Physics: Energy, Vol. 3, No. 1, pp. 012003, Jan. 2021.  公式リンク  
  
• Tarojiro Matsumura, Naoka Nagamura, Shotaro Akaho, Kenji Nagata, Yasunobu Ando. Spectrum adapted expectation-conditional maximization algorithm for extending high–throughput peak separation method in XPS analysis, Science and Technology of Advanced Materials: Methods, Jan. 2021.  公式リンク  
  
• Yasunobu Ando. (Invited) Theoretical Study on the Energy Storage Mechanism of Transition-Metal-Carbide MXene By Quantum-Classical Hybrid Simulation, ECS Meeting Abstracts, Nov. 2020.  公式リンク  
  
• Ryota Shimizu, Shigeru Kobayashi, Yuki Watanabe, Yasunobu Ando, Taro Hitosugi. Autonomous materials synthesis by machine learning and robotics, APL Materials, Nov. 2020.  公式リンク  
  
• Yasunobu Ando. Ensemble Learning Approach with LASSO for Predicting Catalytic Reaction Rates, Synlett, Nov. 2020.  公式リンク  
  
• Wenwen Li, Yasunobu Ando, Satoshi Watanabe. Effects of density and composition on the properties of amorphous alumina: A high-dimensional neural network potential study, The Journal of Chemical Physics, Oct. 2020.  公式リンク  
  
• Yasunobu Ando. Capacitive versus Pseudocapacitive Storage in MXene, Advanced Functional Materials, May 2020.  公式リンク  
  
• Yu Miyazaki, Ryo Nakayama, Nobuaki Yasuo, Yuki Watanabe, Ryota Shimizu, Daniel M. Packwood, Kazunori Nishio, Yasunobu Ando, Masakazu Sekijima, Taro Hitosugi. Bayesian statistics-based analysis of AC impedance spectra, AIP Advances, Apr. 2020.  公式リンク  
  
• Yasunobu Ando. First-principles study of Li-ion distribution at γ−Li3PO4 /metal interfaces, Physical Review Materials, Jan. 2020.  公式リンク  
  
• Shimizu, K., Liu, W., Li, W., Kasamatsu, S., Ando, Y., Minamitani, E., Watanabe, S., Yasunobu Ando. First-principles study of Li-ion distribution at γ-Li3PO4 /metal interfaces, Physical Review Materials, Vol. 4, No. 1, 2020.  公式リンク  
  
• Li, W., Ando, Y., Yasunobu Ando. Effect of local structural disorder on lithium diffusion behavior in amorphous silicon, Physical Review Materials, Vol. 4, No. 4, 2020.  公式リンク  
  
• Tarojiro Matsumura, Naoka Nagamura, Shotaro Akaho, Kenji Nagata, Yasunobu Ando. Spectrum adapted expectation-maximization algorithm for high-throughput peak shift analysis, Science and Technology of Advanced Materials, Vol. 20, No. 1, pp. 733-745, Dec. 2019.  公式リンク  
  
• Sugahara, A., Ando, Y., Kajiyama, S., Yazawa, K., Gotoh, K., Otani, M., Okubo, M., Yamada, A., Yasunobu Ando. Negative dielectric constant of water confined in nanosheets, Nature Communications, Vol. 10, No. 1, 2019.  公式リンク  
  
• Kim, K., Ando, Y., Sugahara, A., Ko, S., Yamada, Y., Otani, M., Okubo, M., Yamada, A., Yasunobu Ando. Dense Charge Accumulation in MXene with a Hydrate-Melt Electrolyte, Chemistry of Materials, Vol. 31, No. 14, pp. 5190-5196, 2019.  公式リンク  
  
• Li, W., Ando, Y., Yasunobu Ando. Dependence of a cooling rate on structural and vibrational properties of amorphous silicon: A neural network potential-based molecular dynamics study, Journal of Chemical Physics, Vol. 151, No. 11, 2019.  公式リンク  
  
• Yada, A., Nagata, K., Ando, Y., Matsumura, T., Ichinoseki, S., Sato, K., Yasunobu Ando. Machine learning approach for prediction of reaction yield with simulated catalyst parameters, Chemistry Letters, Vol. 47, No. 3, pp. 284-287, 2018.  公式リンク  
  
• Matsumura, T., Kuwatani, T., Ando, Y., Masuda, T., Yasunobu Ando. Application of the inverse Batschelet distribution to measuring the preferred orientation of tourmaline grains, Journal of Structural Geology, Vol. 114, pp. 288-293, 2018.  公式リンク  
  
• Li, W., Ando, Y., Yasunobu Ando. Comparison of different machine learning models for the prediction of forces in copper and silicon dioxide, Physical Chemistry Chemical Physics, Vol. 20, No. 47, pp. 30006-30020, 2018.  公式リンク  
  
• Okada, Y., Ando, Y., Shimizu, R., Minamitani, E., Shiraki, S., Watanabe, S., Hitosugi, T., Yasunobu Ando. Scanning tunnelling spectroscopy of superconductivity on surfaces of LiTi2O4(111) thin films, Nature Communications, Vol. 8, 2017.  公式リンク  
  
• Li, W., Ando, Y., Minamitani, E., Watanabe, S., Yasunobu Ando. Study of Li atom diffusion in amorphous Li<inf>3</inf>PO<inf>4</inf> with neural network potential, Journal of Chemical Physics, Vol. 147, No. 21, 2017.  公式リンク  
  
• Li, W. W., Ando, Y., Watanabe, S., Yasunobu Ando. Cu Diffusion in Amorphous Ta2O5 Studied with a Simplified Neural Network Potential, Journal of the Physical Society of Japan, Vol. 86, No. 10, 2017.  公式リンク  
  
• Ni, Z. Y., Minamitani, E., Ando, Y., Watanabe, S., Yasunobu Ando. Germanene and stanene on two-dimensional substrates: Dirac cone and Z(2) invariant, Physical Review B, Vol. 96, No. 7, 2017.  公式リンク  
  
• Mori, Y., Minamitani, E., Ando, Y., Kasamatsu, S., Watanabe, S., Yasunobu Ando. Electric field response in bilayer graphene: Ab initio investigation, Applied Physics Express, Vol. 9, No. 11, 2016.  公式リンク  
  
• Ando, Y., Watanabe, S., Yasunobu Ando. First-principles study of metal-insulator control by ion adsorption on Ti2C MXene dioxide monolayers, Applied Physics Express, Vol. 9, No. 1, 2016.  公式リンク  
  
• Ni, Z., Minamitani, E., Ando, Y., Watanabe, S., Yasunobu Ando. The electronic structure of quasi-free-standing germanene on monolayer MX (M = Ga, In; X = S, Se, Te), Physical Chemistry Chemical Physics, Vol. 17, No. 29, pp. 19039-19044, 2015.  公式リンク  
  
• Ando, Y., Kawamura, Y., Ikeshoji, T., Otani, M., Yasunobu Ando. Electrochemical reduction of an anion for ionic-liquid molecules on a lithium electrode studied by first-principles calculations, Chemical Physics Letters, Vol. 612, pp. 240-244, 2014.  公式リンク  
  
• Ando, Y., Gohda, Y., Tsuneyuki, S., Yasunobu Ando. Ab initio molecular dynamics study of the Helmholtz layer formed on solid-liquid interfaces and its capacitance, Chemical Physics Letters, Vol. 556, pp. 9-12, 2013.  公式リンク  
  
• Ikeshoji, T., Ando, Y., Otani, M., Tsuchida, E., Takagi, S., Matsuo, M., Orimo, S., Yasunobu Ando. Biased interface between solid ion conductor LiBH4 and lithium metal: A first principles molecular dynamics study, Applied Physics Letters, Vol. 103, No. 13, 2013.  公式リンク  
  
• Ando, Y., Gohda, Y., Tsuneyuki, S., Yasunobu Ando. Dependence of the Schottky barrier on the work function at metal/SiON/SiC(0001) interfaces identified by first-principles calculations, Surface Science, Vol. 606, No. 19-20, pp. 1501-1506, 2012.  公式リンク  
  
• Shirasawa, T., Hayashi, K., Yoshida, H., Mizuno, S., Tanaka, S., Muro, T., Tamenori, Y., Harada, Y., Tokushima, T., Horikawa, Y., Kobayashi, E., Kinoshita, T., Shin, S., Takahashi, T., Ando, Y., Akagi, K., Tsuneyuki, S., Tochihara, H., Yasunobu Ando. Atomic-layer-resolved bandgap structure of an ultrathin oxynitride-silicon film epitaxially grown on 6H-SiC(0001), Physical Review B, Vol. 79, No. 24, 2009.  公式リンク  
  

国際会議発表 (査読有り)

• Hwang, J., Ando, Y., Watanabe, S., Yasunobu Ando. Materials search of perovskite cathode in SOFC by statistical analysis, ECS Transactions, Vol. 68, No. 1, pp. 549-556, 2015.  公式リンク  
  

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