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  1. *N. Tanibata, S. Akatsuka, M. Koga, Y. Yokoyama, H. Takeda, M. Nakayama, ChemElectroChem,e202400545_1-6(2025)
    "Transition-Metal Dependence of Anion Redox Reversibility in Amorphous Electrodes"
    DOI: 10.1002/celc.202400545
    2025.03.26; Plan A01, Plan A02 
  2. H. Sato, H. Saito, T. Higashi, *T. Sugimoto, Chem. Commun.,in press(2025)
    "Critical impacts of metal cocatalysts on oxidation kinetics and optimal reaction conditions of photocatalytic methane reforming"
    DOI: 10.1039/D4CC06774F
    2025.03.19; Plan A03 
  3. T. Koyama, Y. Yokoyama, N. Tanibata, H. Takeda, *M. Nakayama, JCS-Japan,in press(2025)
    "Efficient Optimization of Atom/Ion Arrangements in Crystalline Solids Using Genetic Algorithms and Machine-Learning Regression"
    DOI: 10.2109/jcersj2.25006
    2025.03.18; Plan A01 
  4. *H. Takeda , K. Murakami, Y. Yamaguchi, H. Fukuda, N. Tanibata, M. Nakayama, T. Natori, Y. Ono, N. Saito, Next Materials, 8,100574_1-8(2025)
    "Experimental data-driven efficient exploration of the composition and process conditions of Li-rich NASICON-type solid electrolytes"
    DOI: 10.1016/j.nxmate.2025.100574
    2025.03.06; Plan A01 
  5. H. Katsuragawa, S. Mori, Y. Tago, S. Maeda, S. Matsuda, H. Toriu, R. Nakayama, S. Kobayashi, *T. Hitosugi, *M. Moriya, ACS Appl. Energy Mater.,8,3599-3605(2025)
    "Molecular Crystalline Electrolyte Based on Li{N(SO2CF3)2} and Succinonitrile with Closely Contacted Grain Boundary Interfaces Exhibiting Selective Li-Ion Conductivity and 5 V-Class Electrochemical Stability"
    DOI: 10.1021/acsaem.4c03207
    2025.03.06; Plan A01 
  6. *R. Sasaki, Y. Tateyama, D. J. Searles, PRX Energy, 4,013005_1-12(2025)
    "Constant-Current Nonequilibrium Molecular Dynamics Approach for Accelerated Computation of Ionic Conductivity Including Ion-Ion Correlation"
    DOI: 10.1103/PRXEnergy.4.013005
    2025.02.19; Plan A01 
  7. Z. Zhang, K. Miyashita, T. Wu, J. Kujirai, K. Ogasawara, J. Li, Y. Jiang, M. Miyazaki, S. Matsuishi, M. Sasase, *T. Tada, *H. Hosono, *M.Kitano, Nat. Chem.,in press(2025)
    "Anion vacancies activate N2 to ammonia on Ba–Si orthosilicate oxynitride-hydride"
    DOI: 10.1038/s41557-025-01737-8
    2025.02.17; Plan A01, Plan A02 
  8. Y. Watanabe, *S. Kobayashi, Z. Ruijie, D. Jun, K. Tanaka, K. Nishio, R. Nakayama, R. Shimizu, M. Moriya, *T. Hitosugi, APL Mater.,13,011102_1-7(2025)
    "Reduced resistance at molecular-crystal electrolyte and LiCoO2 interfaces for high-performance solid-state lithium batteries"
    DOI: 10.1063/5.0241289
    2025.01.27; Plan A01, Plan A02 
  9. T. Takahashi, H. Toriumi, G. Kobayashi, T. Saito, K. Mori, H. Ariga-Miwa, T. Uruga, R. Maeda, S. Jeong. H. Habazaki, Y. Aoki, Chem. Mater.,37,1111-1122(2025)
    "Topochemical Transformation from Protonic to Hydride-ionic Phase in BaSn1–xInxO3–0.5x Perovskites"
    DOI: 10.1021/acs.chemmater.4c02903
    2025.01.22; Plan A02, Plan A03 
  10. K. Gocho, M. Hamaie, N. Tanibata, H. Takeda, *M. Nakayama, M. Karasuyama, R. Kobayashi, J. Phys. Chem.C,129,1035-1043(2025)
    "Causal Analysis of Factors for Li Ionic Conductivity in Olivine-Type LiMXO4 Materials Using LiNGAM"
    DOI: 10.1021/acs.jpcc.4c06131
    2025.01.07; Plan A01 
  11. *N. Tanibata, S. Kondo, S. Akatsuka, H. Takeda, M. Nakayama, Chem. Mater.,37,303-312(2025)
    "Fast Anion Redox by Amorphization in Sodium-Ion Batteries"
    DOI: 10.1021/acs.chemmater.4c02583
    2024.12.27; Plan A01, Plan A02 
  12. *T. Sudare, R. Shimizu, N. Yamada, Y. Miura, R. Ueda, R. Nakayama, S. Kobayashi, K. Kaneko, *T. Hitosugi, Chem. Mater.,37,480-488(2025)
    "Elucidating the Role of Interstitial Oxygen in Transparent Conducting Anatase TiO2 by Polarized X-ray Absorption Spectroscopy Study"
    DOI: 10.1021/acs.chemmater.4c02896
    2024.12.11; Plan A01, Plan A02 
  13. K.Tani, T.Tada, *T.Takami, J. Mater. Chem. A,13,1478-1484(2025)
    "Fluoride superionic conduction in TlF with the new anti-α-CuBr structure containing intrinsic F vacancies"
    DOI: 10.1039/D4TA06334A
    2024.12.03; Plan A01 
  14. K. Kihara, K. Nishinari, Y. Ando,*T. Ezaki, Phys. rev. res.,6,043210_1-7(2024)
    "Solid-electrolyte-inspired totally asymmetric simple exclusion process with parallel channels and random defects"
    DOI: 10.1103/PhysRevResearch.6.043210
    2024.11.26; Plan A01 
  15. Y. Yokoyama, S. Noguchi, K. Ishikawa, N. Tanibata, H. Takeda, *M. Nakayama, R. Kobayashi, M. Karasuyama, APL Mater.,12,111120_1-8 (2024)
    "Prediction of Li-ion conductivity in Ca and Si co-doped LiZr2(PO4)3 using a denoising autoencoder for experimental data"
    DOI: 10.1063/5.0231411
    2024.11.26; Plan A01 
  16. K. Oka, N. Tanibata, H. Takeda, *M. Nakayama, S. Noguchi, M. Karasuyama, Y. Fujiwara, T. Miyuki, Sci. Rep.,14,28905_1-12(2024)
    "Deep learning based emulator for predicting voltage behaviour in lithium ion batteries"
    DOI: 10.1038/s41598-024-80371-9
    2024.11.21; Plan A01 
  17. *T. Ozawa, Y. Sugisawa, Y. Komatsu, R. Shimizu, T. Hitosugi, D. Sekiba, K. Yamauchi, I. Hamada, K. Fukutani, Nat. Commun.,15,9558_1-8(2024)
    "Isotope-dependent site occupation of hydrogen in epitaxial titanium hydride nanofilms"
    DOI: 10.1038/s41467-024-53838-6
    2024.11.14; Plan A02 
  18. F. Takeiri, K. Kusumoto, K. Kawai, H. Yaguchi, T. Saito, K. Mori, S. Hosokawa, M. Okubo, *G. Kobayashi, Chem.Commun.,60,14388-14390 (2024)
    "Li2NbHO2: a new transition-metal oxyhydride with rock-salt-type structure"
    DOI: 10.1039/D4CC05503A
    2024.11.12; Plan A02, Plan A03 
  19. T. Koyama, *M. Nakayama, J. Schuett, S. Neitzel-Grieshammer, J. Phys. Chem. C, 128, 19482–19491(2024)
    "Dependence of Oxygen Diffusion on the La and Sr Configuration in Melilite-Type La1+xSr1–xGa3O7+x/2 by Neural Network Potential Molecular Dynamics Simulation"
    DOI: 10.1021/acs.jpcc.4c03617
    2024.11.11; Plan A01 
  20. *T. Ezaki, N. Imura, K. Nishinari, PLOS Complex Syst.,1(3),e0000017_1-15(2024）
    "Synergistic integration of fragmented transportation networks: When do networks (not) synergize?"
    DOI: 10.1371/journal.pcsy.0000017
    2024.11.05; Plan A01 
  21. T. Usami, K. Gocho, N. Tanibata, H. Takeda, *M. Nakayama, Electrochemistry.,92(11),117001_1-5(2024）
    "Investigation of Effect of Heterovalent Element Doping on Ionic Conductivity in Li3InCl6 System Using Neural-network Potential"
    DOI: 10.5796/electrochemistry.24-00088
    2024.11.01; Plan A01 
  22. S. Ito, K. Rojas, Y. Yasuda, N. Noguchi, K. Fukuda, M. Hikichi, Z. Kang, M. Yuan, R. Tsuji, O. Oki, S. Roy, Y. Hikita, I. Matsuda, M. Miyauchi, *I. Hamada, *T. Kondo, J. Phys. Chem. Lett.,15,10965–10976(2024)
    "Inter-layer Hydrogen Recombination from Hydrogen Boride Nanosheets Elucidated by Isotope Labeling"
    DOI: 10.1021/acs.jpclett.4c01975
    2024.10.25; Plan A02 
  23. K. Miyashita, K. Ogasawara, M. Miyazaki, H. Abe, Y. Niwa, *H. Kato, *H. Hosono, *M. Kitano, NPG Asia Mater.,16,54_2-9(2024）
    "Effects of nitrogen vacancy sites of oxynitride support on the catalytic activity for ammonia decomposition"
    DOI: 10.1038/s41427-024-00572-6
    2024.10.18; Plan A02 
  24. *M. Liu, N. Oyama, T. Kawasaki, H. Mizuno, J. Appl. Phys.,136,144702(2024)
    "Classification of solid and liquid structures using a deep neural network unveils origin of dynamical heterogeneities in supercooled liquids"
    DOI: 10.1063/5.0229577
    2024.10.08; Plan A01 
  25. Y. Miyaoka, T. Sato, Y. Oguro, S. Kondo, K. Nakano, M. Nakayama, Y. Ugata, D. Goonetilleke, N. Sharma, A. M. Glushenkov, S. Hiroi, K. Ohara, K.Takada, Y. Fujii, *N. Yabuuchi, ACS Cent. Sci.,10,1718-1732(2024）
    "A Practical and Sustainable Ni/Co-Free High-Energy Electrode Material: Nanostructured LiMnO2"
    DOI: 10.1021/acscentsci.4c00578
    2024.09.24; Plan A01, Plan A02 
  26. M. Horibe, N. Tanibata, H.Takeda, *M. Nakayama, ACS Appl. Mater. Interfaces,16,53621-53630(2024)
    "Universal Neural Network Potential-Driven Molecular Dynamics Study of CO2/O2 Evolution at the Ethylene Carbonate/Charged–Electrode Interface"
    DOI: 10.1021/acsami.4c03866
    2024.09.24; Plan A01 
  27. K. Motohashi, H. Tsukasaki, S. Mori, A. Sakuda, *A. Hayashi, Chem. Mater.,36,19_9914-9921(2024)
    "Fast Sodium-Ion Conducting Amorphous Oxychloride Embedding Nanoparticles"
    DOI: 10.1021/acs.chemmater.4c02104
    2024.09.24; Plan A02 
  28. K. Kawai, S.-H. Jang, Y. Igarashi, K. Yazawa, K. Gotoh, J. Kikkawa, A. Yamada, Y. Tateyama, *M. Okubo, Angew. Chem. Int. Ed.,64,e202410971_1-8(2025)
    "Proton Intercalation into an Open-Tunnel Bronze Phase with Near-Zero Volume Change"
    DOI: 10.1002/anie.202410971
    2024.08.28; Plan A01, Plan A02 
  29. H. Sato, *T. Sugimoto, J. Am. Chem. Soc.,146,24800–24807(2024)
    "Direct Operando Identification of Reactive Electron Species Driving Photocatalytic Hydrogen Evolution on Metal-loaded Oxides"
    DOI: 10.1021/jacs.3c14558
    2024.08.27; Plan A03 
  30. R. Iwasaki, N. Tanibata, H. Takeda, *M. Nakayama, Commun. Mater.,5,148_1-8(2024)
    "Universal-neural-network-potential molecular dynamics for lithium metal and garnet-type solid electrolyte interface"
    DOI: 10.1038/s43246-024-00595-0
    2024.08.10; Plan A01 
  31. *T. Ezaki, K. Nishinari, Y. Ando, Phys. Rev. Res.,6,L032032(2024)
    "Diffusion-facilitated transport of self-driven particles in polycrystalline structures"
    DOI: 10.1103/PhysRevResearch.6.L032032
    2024.08.08; Plan A01 
  32. *S.-H. Jang*, R. Jalem, Y. Tateyama, J. Mater. Chem. A,12,20879-20886(2024)
    "Computational discovery of stable Na-ion sulfide solid electrolytes with high conductivity at room temperature"
    DOI: 10.1039/D4TA02522A
    2024.08.05; Plan A01 
  33. *Z. Zhou, H. D. Luong, B. Gao, T. Momma, *Y. Tateyama, ACS Appl. Mater. Interfaces,16,42093-42099(2024)
    "LiNbO3 and LiTaO3 Coating Effects on the Interface of the LiCoO2 Cathode: A DFT Study of Li-Ion Transport"
    DOI: 10.1021/acsami.4c05737
    2024.08.05; Plan A01 
  34. S. Sato, M. Miyazaki, *S. Matsuishi, *H. Hosono, *M. Kitano, Adv. Energy Mater.,14,2402353_1-11(2024）
    "Ammonia Synthesis over Ruthenium Supported on Metastable Perovskite Oxyhydrides BaREO2H (RE = Y, Sc) Prepared by Mechanochemical Method"
    DOI: 10.1002/aenm.202402353
    2024.08.03; Plan A02 
  35. H. Takeda, *M. Shibasaki, K. Murakami, M. Tanaka, K. Makino, N. Tanibata, H. Maeda, M. Nakayama, Energy Adv.,3,2238-2244(2024)
    "Effect of synthesis process on the Li-ion conductivity of LiTa2PO8 solid electrolyte materials for all-solid-state batteries"
    DOI: 10.1039/D4YA00180J
    2024.07.11; Plan A01 
  36. M. Sun, J. Cheng, A. Anzai, *H. Kobayashi, *M. Yamauchi, Adv. Sci.,11,240493_1-7(2024)
    "Modulating Electronic States of Cu in Metal-Organic Frameworks for Emerging Controllable CH4/C2H4 Selectivity in CO2 Electroreduction"
    DOI: 10.1002/advs.202404931
    2024.07.08; Plan A03 
  37. *H. Mizuno, A. Ikeda, T. Kawasaki, K. Miyazaki, Commun. Phys.,7,199_1-12(2024)
    "Universal mechanism of shear thinning in supercooled liquids"
    DOI: 10.1038/s42005-024-01685-8
    2024.07.01; Plan A01 
  38. T. Kawasaki, K. Miyazaki, Phys. Rev. Lett.,132,268201_1-6(2024)
    "Unified Understanding of Nonlinear Rheology near the Jamming Transition Point"
    DOI: 10.1103/PhysRevLett.132.268201
    2024.06.25; Plan A01 
  39. N. H. A. Besisa, K.-S. Yoon, T. G. Noguchi, H. Kobayashi, *M.Yamauchi, ACS Sustain. Chem. Eng.,12,9874-9881(2024)
    "Defect-driven Optimization of TiO2-based Electrodes for High-efficiency Electrochemical 1,4-NADH Generation"
    DOI: 10.1021/acssuschemeng.4c02313
    2024.06.20; Plan A03 
  40. *N. Tanibata, S. Aizu, M. Koga, H. Takeda, R. Kobayashi, M. Nakayama, J. Mater. Chem. A,12,15601-15607(2024)
    "Guidelines for designing high-deformability materials for all-solid-state lithium-ion batteries"
    DOI: 10.1039/D4TA02328E
    2024.06.11; Plan A01 
  41. N. Hashimoto, *K. Mori, H. Yoshida, N. Kamiuchi, R. Kitaura, R. Hirasawa, H. Yamashita, Nano Lett.,24,7063−7068(2024)
    "Thermal stability of high-entropy alloy nanoparticles evaluated by in situ TEM observations"
    DOI: 10.1021/acs.nanolett.4c01625
    2024.05.28; Plan A03 
  42. N. Ishiguro, F. Kaneko, M. Abe, Y. Takayama, J. Yoshida, T. Hoshino, S. Takazawa, H. Uematsu, Y. Sasaki, N. Okawa, K. Takahashi, H. Takizawa, H. Kishimoto, *Y. Takahashi, Appl. Phys. Express.,17,52006_1-5(2024)
    "Towards sub-10 nm spatial resolution by tender X-ray ptychographic coherent diffraction imaging"
    DOI: 10.35848/1882-0786/ad4846
    2024.05.27; Plan A03 
  43. *N. Oyama, T. Kawasaki, K. Kim, H. Mizuno, Phys. Rev. Lett.,132,148201_1-6(2024)
    "Scale Separation of Shear-Induced Criticality in Glasses"
    DOI: 10.1103/PhysRevLett.132.148201
    2024.04.03; Plan A01 
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