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外部発表一覧

2021年2020年2019年2018年2017年

2021年
  1. R. Tamura, T. Osada, K. Minagawa, T. Kohata, M. Hirosawa, K. Tsuda, K. Kawagishi, (2021) ‘Machine learning-driven optimization in powder manufacturing of Ni-Co based superalloy’ Materials and Design 198(-), - DOI: 10.1016/j.matdes.2020.109290
  2. A. Hussain, L. Yang, S. Mao, B. Da, K. Tőkési, Z.J. Ding, (2021) ‘Determination of electron backscattering coefficient of beryllium by a high-precision Monte Carlo simulation’ Nuclear Materials and Energy 26(-), - DOI: 10.1016/j.nme.2020.100862
  3. I. Ohkubo, Z. Hou, J.N. Lee, T. Aizawa, M. Lippmaa, T. Chikyow, K. Tsuda, T. Mori, (2021) ‘Realization of closed-loop optimization of epitaxial titanium nitride thin-film growth via machine learning’ Materials Today Physics 16(-), - DOI: 10.1016/j.mtphys.2020.100296
  4. T. Kaneko, K. Sodeyama, (2021) ‘First-principles molecular dynamics study for S−O bond dissociation of sulfolane on Li-metal negative electrode’ Chemical Physics Letters 762(-), - DOI: 10.1016/j.cplett.2020.138199
  5. H. Kino, K. Ikuse, H.-C. Dam, S. Hamaguchi, (2021) ‘Characterization of descriptors in machine learning for data-based sputtering yield prediction’ Physics of Plasmas 28(1), - DOI: 10.1063/5.0006816
  6. T. Zuo, J. Xue, Y. Ru, Z. Gao, L. Zhang, B. Da, L. Han, L. Xiao, (2021) ‘The improved softening resistance and high electrical conductivity of the 3D graphene enhanced copper-based composite fabricated by liquid carbon source’ Materials Letters 283(-), - DOI: 10.1016/j.matlet.2020.128895
  7. N. Ienaga, K. Higuchi, T. Takashi, K. Gen, K. Tsuda, K. Terayama, (2021) ‘Vision-based egg quality prediction in Pacific bluefin tuna (Thunnus orientalis) by deep neural network’ Scientific Reports 11(1), - DOI: 10.1038/s41598-020-80001-0
  8. K. Terayama, M. Sumita, R. Tamura, K. Tsuda, (2021) ‘Black-Box Optimization for Automated Discovery’ Accounts of Chemical Research -(-), - DOI: 10.1021/acs.accounts.0c00713
  9. K. Ito, M. Kusano, M. Demura, M. Watanabe, (2021) ‘Detection and location of microdefects during selective laser melting by wireless acoustic emission measurement’ Additive Manufacturing 40(-), - DOI: 10.1016/j.addma.2021.101915
  10. L.H. Yang, B. Da, H. Yoshikawa, S. Tanuma, J. Hu, J.W. Liu, D.M. Tang, Z.J. Ding, (2021) ‘Low-energy electron inelastic mean free path and elastic mean free path of graphene’ Applied Physics Letters 118(5), - DOI: 10.1063/5.0029133
  11. A. Yada, T. Matsumura, Y. Ando, K. Nagata, S. Ichinoseki, K. Sato, (2021) ‘Ensemble Learning Approach with LASSO for Predicting Catalytic Reaction Rates’ Synlett -(-), - DOI: 10.1055/a-1304-4878
  12. S. Michimura, M. Kosaka, A. MacHida, R. Numakura, R. Iizuka, S. Katano, Y. Imai, N. Shirakawa, Y. Yamasaki, H. Nakao, H. Sato, S. Ueda, K. Mimura, (2021) ‘Charge-Ordered State and Low-Dimensional Magnetic Fluctuations in Yb5Ge4 Single Crystal’ Journal of the Physical Society of Japan 90(4), - DOI: 10.7566/JPSJ.90.044703
  13. L. Yang, B. Da, K. Tőkési, Z.J. Ding, (2021) ‘Individual separation of surface, bulk and Begrenzungs effect components in the surface electron energy spectra’ Scientific Reports 11(1), - DOI: 10.1038/s41598-021-85429-6
  14. X. Li, T. Kato, Y. Nakamura, S. Yamago, (2021) ‘The effect of viscosity on the coupling and hydrogen-abstraction reaction between transient and persistent radicals’ Bulletin of the Chemical Society of Japan 94(3), 966-972 DOI: 10.1246/BCSJ.20200398
  15. S. Tsuzuki, T. Kaneko, K. Sodeyama, Y. Umebayashi, W. Shinoda, S. Seki, K. Ueno, K. Dokko, M. Watanabe, (2021) ‘Thermodynamic aspect of sulfur, polysulfide anion and lithium polysulfide: plausible reaction path during discharge of lithium-sulfur battery’ Physical Chemistry Chemical Physics 23(11), 6832-6840 DOI: 10.1039/d0cp04898d
  16. S. Iino, S. Sobu, K. Nakabayashi, S. Samitsu, H. Mori, (2021) ‘Highly transparent and photopatternable spirobifluorene-based polythioethers with high refractive indices via thiol-ene click chemistry’ Polymer 224(-), - DOI: 10.1016/j.polymer.2021.123725
  17. M. Morita, K. Ishibashi, K. Takahashi, T. Chikyow, A. Ogura, T. Nagata, (2021) ‘Effects of ZnxMn1-xS buffer layer on nonpolar AlN growth on Si (100) substrate’ Japanese Journal of Applied Physics 60(-), - DOI: 10.35848/1347-4065/abf07a
  18. M. Tenjimbayashi, S. Samitsu, Y. Watanabe, Y. Nakamura, M. Naito, (2021) ‘Liquid Marble Patchwork on Super-Repellent Surface’ Advanced Functional Materials -(-), - DOI: 10.1002/adfm.202010957
  19. J. Liu, O. Auciello, Obaldia, E. de B. Da, Y. Koide, (2021) ‘Science and Technology of Integrated Super-High Dielectric Constant AlOx/TiOy Nanolaminates / Diamond for MOS Capacitors and MOSFETs’ Carbon 172(-), 112-121 DOI: 10.1016/j.carbon.2020.10.031
  20. F.E.C. Othman, N. Yusof, S. Samitsu, N. Abdullah, M.F. Hamid, K. Nagai, M.N.Z. Abidin, M.A. Azali, A.F. Ismail, J. Jaafar, F. Aziz, W.N.W. Salleh, (2021) ‘Activated carbon nanofibers incorporated metal oxides for CO2adsorption: Effects of different type of metal oxides’ Journal of CO2 Utilization 45(-), - DOI: 10.1016/j.jcou.2021.101434
  21. D. Lu, Z. Hou, H. Li, B. Da, Z.J. Ding, (2021) ‘Effect of single-hydrogen-induced out-of-plane passivation on plasmon excitation in nanostructured graphene’ Applied Surface Science 553(-), - DOI: 10.1016/j.apsusc.2021.149558
  22. H. Wang, H. Zhang, B. Da, D. Lu, R. Tamura, K. Goto, I. Watanabe, D. Fujita, N. Hanagata, J. Kano, T. Nakagawa, M. Noguchi, (2021) ‘Mechanomics Biomarker for Cancer Cells Unidentifiable through Morphology and Elastic Modulus’ Nano Letters 21(3), 1538-1545 DOI: 10.1021/acs.nanolett.1c00003
  23. Mehnaz L.H. Yang, B. Da, Z.J. Ding, (2021) ‘Ensemble machine learning methods: predicting electron stopping powers from a small experimental database’ Physical Chemistry Chemical Physics 23(10), 6062-6074 DOI: 10.1039/d0cp06521h
  24. X. Liu, L. Yang, Z. Hou, B. Da, K. Nagata, H. Yoshikawa, S. Tanuma, Y. Sun, Z. Ding, (2021) ‘Machine learning approach for the prediction of electron inelastic mean free paths’ Physical Review Materials 5(3), - DOI: 10.1103/PhysRevMaterials.5.033802
  25. K. Okajima, K. Nagata, M. Okada, (2021) ‘Fast bayesian deconvolution using simple reversible jump moves’ Journal of the Physical Society of Japan 90(3), - DOI: 10.7566/JPSJ.90.034001
  26. Z.-H. Ji, L. Zhang, D.-M. Tang, C.-M. Chen, T.E.M. Nordling, Z.-D. Zhang, C.-L. Ren, B. Da, X. Li, S.-Y. Guo, C. Liu, H.-M. Cheng, (2021) ‘High-throughput screening and machine learning for the efficient growth of high-quality single-wall carbon nanotubes’ Nano Research -(-), - DOI: 10.1007/s12274-021-3387-y
  27. Y. Yokoyama, T. Uozumi, K. Nagata, M. Okada, M. Mizumaki, (2021) ‘Bayesian integration for hamiltonian parameters of X-ray photoemission and absorption spectroscopy’ Journal of the Physical Society of Japan 90(3), - DOI: 10.7566/JPSJ.90.034703
  28. T. Nagata, Y. Suemoto, Y. Ueoka, M. Mesuda, L. Sang, T. Chikyow, (2021) ‘Effects of low temperature buffer layer on all-sputtered epitaxial GaN/AlN film on Si (111) substrate’ Japanese Journal of Applied Physics 60(-), - DOI: 10.35848/1347-4065/abf07f

2020年
  1. N.D. Khanh, T. Nakajima, X. Yu, S. Gao, K. Shibata, M. Hirschberger, Y. Yamasaki, H. Sagayama, H. Nakao, L. Peng, K. Nakajima, R. Takagi, T.-H. Arima, Y. Tokura, S. Seki, (2020) ‘Nanometric square skyrmion lattice in a centrosymmetric tetragonal magnet’ Nature Nanotechnology 15(6), 444-449 DOI: 10.1038/s41565-020-0684-7
  2. T.N. Nguyen, T.T.P. Nhat, K. Takimoto, A. Thakur, S. Nishimura, J. Ohyama, I. Miyazato, L. Takahashi, J. Fujima, K. Takahashi, T. Taniike, (2020) ‘High-Throughput Experimentation and Catalyst Informatics for Oxidative Coupling of Methane’ ACS Catalysis 10(2), 921-932 DOI: 10.1021/acscatal.9b04293
  3. S. Zhang, J. Wang, N.L. Torad, W. Xia, M.A. Aslam, Y.V. Kaneti, Z. Hou, Z. Ding, B. Da, A. Fatehmulla, A.M. Aldhafiri, W.A. Farooq, J. Tang, Y. Bando, Y. Yamauchi, (2020) ‘Rational Design of Nanoporous MoS2/VS2 Heteroarchitecture for Ultrahigh Performance Ammonia Sensors’ Small 16(12), - DOI: 10.1002/smll.201901718
  4. H. Shinotsuka, H. Yoshikawa, R. Murakami, K. Nakamura, H. Tanaka, K. Yoshihara, (2020) ‘Automated information compression of XPS spectrum using information criteria’ Journal of Electron Spectroscopy and Related Phenomena 239(-), - DOI: 10.1016/j.elspec.2019.146903
  5. I. Miyazato, S. Nishimura, L. Takahashi, J. Ohyama, K. Takahashi, (2020) ‘Data-Driven Identification of the Reaction Network in Oxidative Coupling of the Methane Reaction via Experimental Data’ Journal of Physical Chemistry Letters 11(3), 787-795 DOI: 10.1021/acs.jpclett.9b03678
  6. T. Zuo, J. Li, Z. Gao, Y. Wu, L. Zhang, B. Da, X. Zhao, L. Xiao, (2020) ‘Simultaneous improvement of electrical conductivity and mechanical property of Cr doped Cu/CNTs composites’ Materials Today Communications 23(-), - DOI: 10.1016/j.mtcomm.2020.100907
  7. K. Homma, Y. Liu, M. Sumita, R. Tamura, N. Fushimi, J. Iwata, K. Tsuda, C. Kaneta, (2020) ‘Optimization of a Heterogeneous Ternary Li3PO4-Li3BO3-Li2SO4Mixture for Li-Ion Conductivity by Machine Learning’ Journal of Physical Chemistry C 124(24), 12865-12870 DOI: 10.1021/acs.jpcc.9b11654
  8. Y.-J. Wu, T. Zhan, Z. Hou, L. Fang, Y. Xu, (2020) ‘Physical and chemical descriptors for predicting interfacial thermal resistance’ Scientific Data 7(1), - DOI: 10.1038/s41597-020-0373-2
  9. Mehnaz L.H. Yang, Y.B. Zou, B. Da, S.F. Mao, H.M. Li, Y.F. Zhao, Z.J. Ding, (2020) ‘A comparative study on Monte Carlo simulations of electron emission from liquid water’ Medical Physics 47(2), 759-771 DOI: 10.1002/mp.13913
  10. N.H. Alias, J. Jaafar, S. Samitsu, A.F. Ismail, M.A. Mohamed, M.H.D. Othman, M.A. Rahman, N.H. Othman, N.A.M. Nor, N. Yusof, F. Aziz, (2020) ‘Mechanistic insight of the formation of visible-light responsive nanosheet graphitic carbon nitride embedded polyacrylonitrile nanofibres for wastewater treatment’ Journal of Water Process Engineering 33(-), - DOI: 10.1016/j.jwpe.2019.101015
  11. M. Tenjimbayashi, Y. Watanabe, Y. Nakamura, M. Naito, (2020) ‘Exceptional Robustness and Self-Reconfigurability of Liquid Marbles on Superhydrophobic Substrate’ Advanced Materials Interfaces 7(11), - DOI: 10.1002/admi.202000160
  12. S. Sano, T. Kadowaki, K. Tsuda, S. Kimura, (2020) ‘Application of Bayesian Optimization for Pharmaceutical Product Development’ Journal of Pharmaceutical Innovation 15(3), 333-343 DOI: 10.1007/s12247-019-09382-8
  13. J. Fujima, Y. Tanaka, I. Miyazato, L. Takahashi, K. Takahashi, (2020) ‘Catalyst Acquisition by Data Science (CADS): A web-based catalyst informatics platform for discovering catalysts’ Reaction Chemistry and Engineering 5(5), 903-911 DOI: 10.1039/d0re00098a
  14. A. Hussain, L.H. Yang, Y.B. Zou, S.F. Mao, B. Da, H.M. Li, Z.J. Ding, (2020) ‘Monte Carlo simulation study of electron yields from compound semiconductor materials’ Journal of Applied Physics 128(1), - DOI: 10.1063/5.0012154
  15. M. Hirschberger, L. Spitz, T. Nomoto, T. Kurumaji, S. Gao, J. Masell, T. Nakajima, A. Kikkawa, Y. Yamasaki, H. Sagayama, H. Nakao, Y. Taguchi, R. Arita, T.-H. Arima, Y. Tokura, (2020) ‘Topological Nernst Effect of the Two-Dimensional Skyrmion Lattice’ Physical Review Letters 125(7), - DOI: 10.1103/PhysRevLett.125.076602
  16. M. Hirschberger, T. Nakajima, M. Kriener, T. Kurumaji, L. Spitz, S. Gao, A. Kikkawa, Y. Yamasaki, H. Sagayama, H. Nakao, S. Ohira-Kawamura, Y. Taguchi, T.-H. Arima, Y. Tokura, (2020) ‘High-field depinned phase and planar Hall effect in the skyrmion host Gd2PdSi3’ Physical Review B 101(22), - DOI: 10.1103/PhysRevB.101.220401
  17. B. Da, Y. Sun, Z. Hou, J. Liu, N.T. Cuong, K. Tsukagoshi, H. Yoshikawa, S. Tanuma, J. Hu, Z. Gao, Z. Ding, (2020) ‘Measurement of the Low-Energy Electron Inelastic Mean Free Path in Monolayer Graphene’ Physical Review Applied 13(4), - DOI: 10.1103/PhysRevApplied.13.044055
  18. M.B. Zakaria, Y. Guo, J. Na, R. Tahawy, T. Chikyow, W.A. El-Said, D.A. El-Hady, W. Alshitari, Y. Yamauchi, J. Lin, (2020) ‘Layer-by-Layer Motif Heteroarchitecturing of N,S-Codoped Reduced Graphene Oxide-Wrapped Ni/NiS Nanoparticles for the Electrochemical Oxidation of Water’ ChemSusChem 13(12), 3269-3276 DOI: 10.1002/cssc.202000159
  19. F. Tuerxun, K. Yamamoto, M. Hattori, T. Mandai, K. Nakanishi, K. Nakanishi, A. Choudhary, Y. Tateyama, K. Sodeyama, A. Nakao, T. Uchiyama, M. Matsui, K. Tsuruta, Y. Tamenori, K. Kanamura, Y. Uchimoto, (2020) ‘Determining Factor on the Polarization Behavior of Magnesium Deposition for Magnesium Battery Anode’ ACS Applied Materials and Interfaces 12(23), 25775-25785 DOI: 10.1021/acsami.0c03696
  20. C. Li, B. Da, Z.J. Ding, (2020) ‘Monte Carlo study on the surface potential measurement using the peak-shift method’ Applied Surface Science 504(-), - DOI: 10.1016/j.apsusc.2019.144138
  21. I. Miyazato, S. Sarikurt, K. Takahashi, F. Ersan, (2020) ‘Controlling electronic structure of single-layered HfX 3 (X=S , Se) trichalcogenides through systematic Zr doping’ Journal of Materials Science 55(2), 660-669 DOI: 10.1007/s10853-019-04042-1
  22. N.H. Alias, J. Jaafar, S. Samitsu, A.F. Ismail, M.H.D. Othman, M.A. Rahman, N.H. Othman, N. Yusof, F. Aziz, T.A.T. Mohd, (2020) ‘Efficient removal of partially hydrolysed polyacrylamide in polymer-flooding produced water using photocatalytic graphitic carbon nitride nanofibres’ Arabian Journal of Chemistry 13(2), 4341-4349 DOI: 10.1016/j.arabjc.2019.08.004
  23. D. Morikawa, Y. Yamasaki, N. Kanazawa, T. Yokouchi, Y. Tokura, T.-H. Arima, (2020) ‘Determination of crystallographic chirality of MnSi thin film grown on Si (111) substrate’ Physical Review Materials 4(1), - DOI: 10.1103/PhysRevMaterials.4.014407
  24. X. Yuan, J. Liu, S. Shao, J. Liu, J. Wei, B. Da, C. Li, Y. Koide, (2020) ‘Thermal stability investigation for Ohmic contact properties of Pt, Au, and Pd electrodes on the same hydrogen-terminated diamond’ AIP Advances 10(5), - DOI: 10.1063/5.0008167
  25. Othman, F.E. Che M.S. Ismail, N. Yusof, S. Samitsu, M.Z. Yusop, Arifin, N.F. Tajul N.H. Alias, J. Jaafar, F. Aziz, Salleh, W.N. Wan A.F. Ismail, (2020) ‘Methane adsorption by porous graphene derived from rice husk ashes under various stabilization temperatures’ Carbon Letters 30(5), 535-543 DOI: 10.1007/s42823-020-00123-3
  26. M. Suzuki, H. Nagao, Y. Harada, H. Shinotsuka, K. Watanabe, A. Sasaki, A. Matsuda, K. Kimoto, H. Yoshikawa, (2020) ‘Raw-to-repository characterization data conversion for repeatable, replicable, and reproducible measurements’ Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films 38(2), - DOI: 10.1116/1.5128408
  27. T. Baba, K. Sodeyama, Y. Kawamura, Y. Tateyama, (2020) ‘Li-ion transport at the interface between a graphite anode and Li2CO3 solid electrolyte interphase:: Ab initio molecular dynamics study’ Physical Chemistry Chemical Physics 22(19), 10764-10774 DOI: 10.1039/c9cp06608j
  28. J. Zhang, K. Terayama, M. Sumita, K. Yoshizoe, K. Ito, J. Kikuchi, K. Tsuda, (2020) ‘NMR-TS: de novo molecule identification from NMR spectra’ Science and Technology of Advanced Materials -(-), - DOI: 10.1080/14686996.2020.1793382
  29. J. Liu, T. Teraji, B. Da, H. Ohsato, Y. Koide, (2020) ‘Effect of Annealing Temperature on Performances of Boron-Doped Diamond Metal-Semiconductor Field-Effect Transistors’ IEEE Transactions on Electron Devices 67(4), 1680-1685 DOI: 10.1109/TED.2020.2972979
  30. A. Tucs, D.P. Tran, A. Yumoto, Y. Ito, T. Uzawa, K. Tsuda, (2020) ‘Generating ampicillin-level antimicrobial peptides with activity-aware generative adversarial networks’ ACS Omega 5(36), 22847-22851 DOI: 10.1021/acsomega.0c02088
  31. A. Hussain, L.H. Yang, Y.B. Zou, S.F. Mao, B. Da, H.M. Li, Z.J. Ding, (2020) ‘Theoretical calculations of the mean escape depth of secondary electron emission from compound semiconductor materials’ Journal of Applied Physics 127(12), - DOI: 10.1063/1.5144721
  32. K. Ikemoto, T. Tokuhira, A. Uetani, Y. Harabuchi, S. Sato, S. Maeda, H. Isobe, (2020) ‘Fluorescence Enhancement of Aromatic Macrocycles by Lowering Excited Singlet State Energies’ Journal of Organic Chemistry 85(1), 150-157 DOI: 10.1021/acs.joc.9b02379
  33. T. Kataoka, S. Samitsu, M. Okuda, D. Kawagoe, M. Tagaya, (2020) ‘Highly Luminescent Hydroxyapatite Nanoparticles Hybridized with Citric Acid for Their Bifunctional Cell-Labeling and Cytostatic Suppression Properties’ ACS Applied Nano Materials 3(1), 241-256 DOI: 10.1021/acsanm.9b01933
  34. M. Hada, K. Makino, H. Inoue, T. Hasegawa, H. Masuda, H. Suzuki, K. Shirasu, T. Nakagawa, T. Seki, J. Matsuo, T. Nishikawa, Y. Yamashita, S.-Y. Koshihara, V. Stolojan, S.R.P. Silva, J.-I. Fujita, Y. Hayashi, S. Maeda, M. Hase, (2020) ‘Phonon transport probed at carbon nanotube yarn/sheet boundaries by ultrafast structural dynamics’ Carbon 170(-), 165-173 DOI: 10.1016/j.carbon.2020.08.026
  35. K. Yamamoto, S. Abe, A. Honda, J. Hashimoto, Y. Aizawa, S. Ishibashi, T. Takemura, N. Hanagata, M. Yamamoto, O. Miura, M. Kurata, M. Kitagawa, (2020) ‘Fatty acid beta oxidation enzyme HADHA is a novel potential therapeutic target in malignant lymphoma’ Laboratory Investigation 100(3), 353-362 DOI: 10.1038/s41374-019-0318-6
  36. S. Hoi, H. Tsuchiya, N. Itaba, K. Suzuki, H. Oka, M. Morimoto, T. Takata, H. Isomoto, G. Shiota, (2020) ‘WNT/β-catenin signal inhibitor IC-2–derived small-molecule compounds suppress TGF-β1–induced fibrogenic response of renal epithelial cells by inhibiting SMAD2/3 signalling’ Clinical and Experimental Pharmacology and Physiology 47(6), 940-946 DOI: 10.1111/1440-1681.13270
  37. H.T. Nguyen-Truong, B. Da, L. Yang, Z. Ding, H. Yoshikawa, S. Tanuma, (2020) ‘Low-energy electron inelastic mean free path for monolayer graphene’ Applied Physics Letters 117(3), - DOI: 10.1063/5.0016284
  38. K. Muraoka, W. Chaikittisilp, T. Okubo, (2020) ‘Multi-objective: De novo molecular design of organic structure-directing agents for zeolites using nature-inspired ant colony optimization’ Chemical Science 11(31), 8214-8223 DOI: 10.1039/d0sc03075a
  39. T. Mita, Y. Harabuchi, S. Maeda, (2020) ‘Discovery of a synthesis method for a difluoroglycine derivative based on a path generated by quantum chemical calculations’ Chemical Science 11(29), 7569-7577 DOI: 10.1039/d0sc02089c
  40. Y. Sumiya, S. Maeda, (2020) ‘Rate constant matrix contraction method for systematic analysis of reaction path networks’ Chemistry Letters 49(5), 553-564 DOI: 10.1246/cl.200092
  41. K. Watabe, Y. Kato, M. Sakuma, M. Murata, M. Niida-Kawaguchi, T. Takemura, N. Hanagata, M. Tada, A. Kakita, N. Shibata, (2020) ‘Praja1 RING-finger E3 ubiquitin ligase suppresses neuronal cytoplasmic TDP-43 aggregate formation’ Neuropathology 40(6), 570-586 DOI: 10.1111/neup.12694
  42. T. Zuo, J. Li, Z. Gao, L. Zhang, B. Da, X. Zhao, F. Ding, S. Li, Y. Yang, L. Xiao, (2020) ‘Enhanced electrical conductivity and hardness of Copper/Carbon Nanotubes composite by tuning the interface structure’ Materials Letters 280(-), - DOI: 10.1016/j.matlet.2020.128564
  43. X. Sun, Z. Hou, M. Sumita, S. Ishihara, R. Tamura, K. Tsuda, (2020) ‘Data integration for accelerated materials design via preference learning’ New Journal of Physics 22(5), - DOI: 10.1088/1367-2630/ab82b9
  44. Y. Sumiya, S. Maeda, (2020) ‘Paths of chemical reactions and their networks: From geometry optimization to automated search and systematic analysis’ Chemical Modelling 15(-), 28-69 DOI: 10.1039/9781788015868-00028
  45. K. Pandey, R. Basnet, A. Wegner, G. Acharya, M.R.U. Nabi, J. Liu, J. Wang, Y.K. Takahashi, B. Da, J. Hu, (2020) ‘Electronic and magnetic properties of the topological semimetal candidate NdSbTe’ Physical Review B 101(23), - DOI: 10.1103/PhysRevB.101.235161
  46. T. Zhan, K. Oda, S. Ma, M. Tomita, Z. Jin, H. Takezawa, K. Mesaki, Y.-J. Wu, Y. Xu, T. Matsukawa, T. Matsuki, T. Watanabe, (2020) ‘Effect of Thermal Boundary Resistance between the Interconnect Metal and Dielectric Interlayer on Temperature Increase of Interconnects in Deeply Scaled VLSI’ ACS Applied Materials and Interfaces 12(19), 22347-22356 DOI: 10.1021/acsami.0c03010
  47. Y. Yamasaki, H. Nakao, T.-H. Arima, (2020) ‘Augmented magnetic octupole in kagomé 120-degree antiferromagnets detectable via X-ray magnetic circular dichroism’ Journal of the Physical Society of Japan 89(8), - DOI: 10.7566/JPSJ.89.083703
  48. K. Ishii, M. Shimizu, H. Sameshima, S. Samitsu, T. Ishigaki, T. Uchikoshi, (2020) ‘Fabrication of porous (Ba,Sr)(Co,Fe)O3-δ (BSCF) ceramics using gelatinization and retrogradation phenomena of starch as pore-forming agent’ Ceramics International 46(9), 13047-13053 DOI: 10.1016/j.ceramint.2020.02.075
  49. Y.-J. Wu, S.-C. Hsu, Y.-C. Lin, Y. Xu, T.-H. Chuang, S.-C. Chen, (2020) ‘Study on thermoelectric property optimization of mixed-phase bismuth telluride thin films deposited by co-evaporation process’ Surface and Coatings Technology 394(-), - DOI: 10.1016/j.surfcoat.2020.125694
  50. B. Da, L. Yang, J. Liu, Y. Li, S. Mao, Z. Ding, (2020) ‘Monte Carlo simulation study of reflection electron energy loss spectroscopy of an Fe/Si overlayer sample’ Surface and Interface Analysis 52(11), 742-754 DOI: 10.1002/sia.6864
  51. Y. Yamazaki, S. Nakaya, K. Ito, K. Kato, (2020) ‘Analysis of High-Molecular-Weight Polyrotaxanes by MALDI-TOF-MS Using 3-Aminoquinoline-Based Ionic Liquid Matrix’ Journal of the American Society for Mass Spectrometry 31(6), 1180-1188 DOI: 10.1021/jasms.9b00084
  52. M. Hatanaka, T. Yoshimura, S. Maeda, (2020) ‘Artificial Force-Induced Reaction Method for Systematic Elucidation of Mechanism and Selectivity in Organometallic Reactions’ Topics in Organometallic Chemistry 67(-), 57-80 DOI: 10.1007/3418_2020_51
  53. T.M. Dieb, M. Ishii, (2020) ‘Machine-learning-assisted design of depth-graded multilayer x-ray structure’ Proceedings of SPIE - The International Society for Optical Engineering 11287(-), - DOI: 10.1117/12.2544507
  54. K. Kurishima, K. Tatejima, Y. Yamashita, S. Ueda, K. Ishibashi, K. Takahashi, S. Suzuki, A. Ogura, T. Chikyow, T. Nagata, (2020) ‘Band alignment at non-polar AlN/MnS interface investigated by hard X-ray photoelectron spectroscopy’ Japanese Journal of Applied Physics 59(-), - DOI: 10.35848/1347-4065/ab769c
  55. Y. Yamashita, T. Chikyow, (2020) ‘Origin of Fermi level pinning in high-k gate stack structures studied by operando hard x-ray photoelectron spectroscopy’ Journal of Electron Spectroscopy and Related Phenomena 238(-), - DOI: 10.1016/j.elspec.2019.146890
  56. H. Izuno, M. Demura, M. Tabuchi, Y.-I. Mototake, M. Okada, (2020) ‘Data-based selection of creep constitutive models for high-Cr heat-resistant steel’ Science and Technology of Advanced Materials 21(1), 219-228 DOI: 10.1080/14686996.2020.1738268
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  63. T. Nagata, T. Yamaguchi, S. Ueda, W. Yi, J. Chen, T. Kobayashi, H. Yokoo, T. Honda, Y. Yamashita, T. Chikyow, (2020) ‘Photoelectron spectroscopic study on electronic state of corundum In2O3 epitaxial thin film grown by mist-CVD’ Japanese Journal of Applied Physics 59(-), - DOI: 10.35848/1347-4065/ab84b2
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  69. L. Xu, T. Ma, Y. Shen, Y. Wang, L. Han, W. Chaikittisilp, T. Yokoi, J. Sun, T. Wakihara, T. Okubo, (2020) ‘Rational Manipulation of Stacking Arrangements in Three-Dimensional Zeolites Built from Two-Dimensional Zeolitic Nanosheets’ Angewandte Chemie - International Edition 59(45), 19934-19939 DOI: 10.1002/anie.202009336
  70. V. Ukleev, Y. Yamasaki, O. Utesov, K. Shibata, N. Kanazawa, N. Jaouen, H. Nakao, Y. Tokura, T.-H. Arima, (2020) ‘Metastable solitonic states in the strained itinerant helimagnet FeGe’ Physical Review B 102(1), - DOI: 10.1103/PhysRevB.102.014416
  71. C. Li, K. Tőkési, L. Repetto, L. Xiao, J. Liu, Z. Gao, L. Han, B. Da, R.J. Bereczky, Z. Ding, (2020) ‘A Monte Carlo calculation of the secondary electron emission in the backward direction from a SiO2 macro-capillary’ European Physical Journal D 74(2), - DOI: 10.1140/epjd/e2020-100268-6
  72. Y. Nakamichi, M. Tuda, E. Wajnberg, (2020) ‘Intraspecific interference between native parasitoids modified by a non-native parasitoid and its consequence on population dynamics’ Ecological Entomology 45(6), 1263-1271 DOI: 10.1111/een.12909
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  74. J. Yan, Y. Qiu, B. Da, Z. Li, Y. Li, Z. Ding, L. Ma, P. Zhang, Y. Yuan, Y. Gu, (2020) ‘Impact of the voids on the cracking behavior of the duplex oxide scale on the 18%Cr austenite alloy surface’ Corrosion Science 163(-), - DOI: 10.1016/j.corsci.2019.108298
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  77. Y. Araki, T. Sato, Y. Fujima, N. Abe, M. Tokunaga, S. Kimura, D. Morikawa, V. Ukleev, Y. Yamasaki, C. Tabata, H. Nakao, Y. Murakami, H. Sagayama, K. Ohishi, Y. Tokunaga, T. Arima, (2020) ‘Metamagnetic transitions and magnetoelectric responses in the chiral polar helimagnet Ni2InSb O6’ Physical Review B 102(5), - DOI: 10.1103/PhysRevB.102.054409
  78. Y. Yamauchi, S. Samitsu, K. Goto, M. Takeuchi, (2020) ‘Bottlebrush polymer-reinforced transparent multiphase plastics with enhanced thermal stability’ Chemical Communications 56(93), 14641-14644 DOI: 10.1039/d0cc06769e
  79. K. Kato, A. Ohara, K. Michishio, K. Ito, (2020) ‘Effects of ring size on the dynamics of polyrotaxane glass’ Macromolecules 53(20), 8910-8917 DOI: 10.1021/acs.macromol.0c02009
  80. Y. Hao, C. Liu, L. He, Y. Ji, L. Zhao, J. Gao, S. Ren, M. Guo, Z. Hou, B. Da, X. Ren, (2020) ‘Effect of thermal-cycling on the piezoelectricity of 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 Pb-free piezoceramic’ Journal of Alloys and Compounds 847(-), - DOI: 10.1016/j.jallcom.2020.156462
  81. A.S. Nugraha, G. Lambard, J. Na, M.S.A. Hossain, T. Asahi, W. Chaikittisilp, Y. Yamauchi, (2020) ‘Mesoporous trimetallic PtPdAu alloy films toward enhanced electrocatalytic activity in methanol oxidation: Unexpected chemical compositions discovered by Bayesian optimization’ Journal of Materials Chemistry A 8(27), 13532-13540 DOI: 10.1039/d0ta04096g
  82. Y. Matsuda, Y. Hirano, S. Mizutani, D. Sakai, A. Fujii, S. Maeda, K. Ohno, (2020) ‘Migrations and Catalytic Action of Water Molecules in the Ionized Formamide-(H2O)2 Cluster’ Journal of Physical Chemistry A 124(14), 2802-2807 DOI: 10.1021/acs.jpca.0c00637
  83. S. Chinnathambi, N. Hanagata, T. Yamazaki, N. Shirahata, (2020) ‘Nano-bio interaction between blood plasma proteins and water-soluble silicon quantum dots with enabled cellular uptake and minimal cytotoxicity’ Nanomaterials 10(11), 1-19 DOI: 10.3390/nano10112250
  84. H. Nabata, M. Takagi, K. Saita, S. Maeda, (2020) ‘Computational searches for crystal structures of dioxides of group 14 elements (CO2, SiO2, GeO2) under ultrahigh pressure’ RSC Advances 10(37), 22156-22163 DOI: 10.1039/d0ra03359f
  85. S. Wu, G. Lambard, C. Liu, H. Yamada, R. Yoshida, (2020) ‘iQSPR in XenonPy: A Bayesian Molecular Design Algorithm’ Molecular Informatics 39(1-2), - DOI: 10.1002/minf.201900107
  86. M. Onose, H. Takahashi, H. Sagayama, Y. Yamasaki, S. Ishiwata, (2020) ‘Complete phase diagram of Sr1-xLaxFe O3 with versatile magnetic and charge ordering’ Physical Review Materials 4(11), - DOI: 10.1103/PhysRevMaterials.4.114420
  87. M. Sasaki, S. Ju, Y. Xu, J. Shiomi, M. Goto, (2020) ‘Identifying Optimal Strain in Bismuth Telluride Thermoelectric Film by Combinatorial Gradient Thermal Annealing and Machine Learning’ ACS Combinatorial Science 22(12), 782-790 DOI: 10.1021/acscombsci.0c00112
  88. H. Setoyama, I. Akai, K. Iwamitsu, Y. Miyata, S. Yakura, Y. Igarashi, M. Okada, T. Okajima, (2020) ‘Application of sparse modeling to extended X-ray absorption fine structure spectra of transition metals’ Journal of the Physical Society of Japan 89(7), - DOI: 10.7566/JPSJ.89.074602
  89. N. Hanagata, T. Takemura, K. Kamimura, T. Koda, (2020) ‘Effect of immunosuppressants on a mouse model of osteogenesis imperfecta type V harboring a heterozygous Ifitm5 c.-14C > T mutation’ Scientific Reports 10(1), - DOI: 10.1038/s41598-020-78403-1
  90. Y.-J. Wu, T. Tanaka, T. Komori, M. Fujii, H. Mizuno, S. Itoh, T. Takada, E. Fujita, Y. Xu, (2020) ‘Essential structural and experimental descriptors for bulk and grain boundary conductivities of Li solid electrolytes’ Science and Technology of Advanced Materials 21(1), 712-725 DOI: 10.1080/14686996.2020.1824985
  91. R. Murakami, K. Nakamura, H. Tanaka, H. Shinotsuka, H. Yoshikawa, (2020) ‘Efficient removal of noise-derived components for automatic XPS spectral decomposition using hierarchical clustering’ e-Journal of Surface Science and Nanotechnology 18(-), 201-207 DOI: 10.1380/EJSSNT.2020.201
  92. R. Murakami, H. Tanaka, H. Shinotsuka, K. Nagata, H. Shouno, H. Yoshikawa, (2020) ‘Development of multiple core-level XPS spectra decomposition method based on the Bayesian information criterion’ Journal of Electron Spectroscopy and Related Phenomena 245(-), - DOI: 10.1016/j.elspec.2020.147003
  93. T. Honda, Y. Yamasaki, H. Nakao, Y. Murakami, T. Ogura, Y. Kousaka, J. Akimitsu, (2020) ‘Topological metastability supported by thermal fluctuation upon formation of chiral soliton lattice in CrNb 3S 6’ Scientific Reports 10(1), - DOI: 10.1038/s41598-020-74945-6
  94. N. Yamashita, Y. Koyanagi, H. Takemura, K. Asakura, T. Kasuya, S. Tsukamoto, H. Yokota, (2020) ‘Large-Scale Serial-Sectioning Observation of 3D Steel Microstructures Based on Efficient Exploring of Etching Conditions Using 3D Internal Structure Microscope’ Mechanisms and Machine Science 75(-), 841-850 DOI: 10.1007/978-3-030-27053-7_71
  95. T. Koyama, M. Ohno, A. Yamanaka, T. Kasuya, S. Tsukamoto, (2020) ‘Development of microstructure simulation system in sip-materials integration projects’ Materials Transactions 61(11), 2047-2051 DOI: 10.2320/matertrans.MT-MA2020001
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  97. A.T.T. Tu, K. Hoshi, K. Ikebukuro, N. Hanagata, T. Yamazaki, (2020) ‘Monomeric G-Quadruplex-Based CpG Oligodeoxynucleotides as Potent Toll-Like Receptor 9 Agonists’ Biomacromolecules 21(9), 3644-3657 DOI: 10.1021/acs.biomac.0c00679
  98. F.E.C. Othman, S. Samitsu, N. Yusof, A.F. Ismail, (2020) ‘Effects of carbonization conditions on the microporous structure and high-pressure methane adsorption behavior of glucose-derived graphene’ Korean Journal of Chemical Engineering 37(11), 2068-2074 DOI: 10.1007/s11814-020-0619-x
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  104. R. Shibukawa, S. Ishida, K. Yoshizoe, K. Wasa, K. Takasu, Y. Okuno, K. Terayama, K. Tsuda, (2020) ‘CompRet: A comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration’ Journal of Cheminformatics 12(1), - DOI: 10.1186/s13321-020-00452-5
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2019年
  1. T. Kurumaji, T. Nakajima, M. Hirschberger, A. Kikkawa, Y. Yamasaki, H. Sagayama, H. Nakao, Y. Taguchi, T.-H. Arima, Y. Tokura, (2019) ‘Skyrmion lattice with a giant topological Hall effect in a frustrated triangular-lattice magnet’ Science 365(6456), 914-918 DOI: 10.1126/science.aau0968
  2. S. Wu, Y. Kondo, M.-A. Kakimoto, B. Yang, H. Yamada, I. Kuwajima, G. Lambard, K. Hongo, Y. Xu, J. Shiomi, C. Schick, J. Morikawa, R. Yoshida, (2019) ‘Machine-learning-assisted discovery of polymers with high thermal conductivity using a molecular design algorithm’ npj Computational Materials 5(1), - DOI: 10.1038/s41524-019-0203-2
  3. K. Takahashi, L. Takahashi, I. Miyazato, J. Fujima, Y. Tanaka, T. Uno, H. Satoh, K. Ohno, M. Nishida, K. Hirai, J. Ohyama, T.N. Nguyen, S. Nishimura, T. Taniike, (2019) ‘The Rise of Catalyst Informatics: Towards Catalyst Genomics’ ChemCatChem 11(4), 1146-1152 DOI: 10.1002/cctc.201801956
  4. M. Hirschberger, T. Nakajima, S. Gao, L. Peng, A. Kikkawa, T. Kurumaji, M. Kriener, Y. Yamasaki, H. Sagayama, H. Nakao, K. Ohishi, K. Kakurai, Y. Taguchi, X. Yu, T.-H. Arima, Y. Tokura, (2019) ‘Skyrmion phase and competing magnetic orders on a breathing kagomé lattice’ Nature Communications 10(1), - DOI: 10.1038/s41467-019-13675-4
  5. A. Sakurai, K. Yada, T. Simomura, S. Ju, M. Kashiwagi, H. Okada, T. Nagao, K. Tsuda, J. Shiomi, (2019) ‘Ultranarrow-Band Wavelength-Selective Thermal Emission with Aperiodic Multilayered Metamaterials Designed by Bayesian Optimization’ ACS Central Science 5(2), 319-326 DOI: 10.1021/acscentsci.8b00802
  6. Y.-J. Wu, L. Fang, Y. Xu, (2019) ‘Predicting interfacial thermal resistance by machine learning’ npj Computational Materials 5(1), - DOI: 10.1038/s41524-019-0193-0
  7. H. Shinotsuka, S. Tanuma, C.J. Powell, D.R. Penn, (2019) ‘Calculations of electron inelastic mean free paths. XII. Data for 42 inorganic compounds over the 50 eV to 200 keV range with the full Penn algorithm’ Surface and Interface Analysis 51(4), 427-457 DOI: 10.1002/sia.6598
  8. Y. Yamauchi, M. Tenjimbayashi, S. Samitsu, M. Naito, (2019) ‘Durable and Flexible Superhydrophobic Materials: Abrasion/Scratching/Slicing/Droplet Impacting/Bending/Twisting-Tolerant Composite with Porcupinefish-Like Structure’ ACS Applied Materials and Interfaces 11(35), 32381-32389 DOI: 10.1021/acsami.9b09524
  9. N.H. Alias, J. Jaafar, S. Samitsu, T. Matsuura, A.F. Ismail, M.H.D. Othman, M.A. Rahman, N.H. Othman, N. Abdullah, S.H. Paiman, N. Yusof, F. Aziz, (2019) ‘Photocatalytic nanofiber-coated alumina hollow fiber membranes for highly efficient oilfield produced water treatment’ Chemical Engineering Journal 360(-), 1437-1446 DOI: 10.1016/j.cej.2018.10.217
  10. Z. Hou, Y. Takagiwa, Y. Shinohara, Y. Xu, K. Tsuda, (2019) ‘ Machine-Learning-Assisted Development and Theoretical Consideration for the Al 2 Fe 3 Si 3 Thermoelectric Material ’ ACS Applied Materials and Interfaces 11(12), 11545-11554 DOI: 10.1021/acsami.9b02381
  11. M. Tenjimbayashi, S. Samitsu, M. Naito, (2019) ‘Simultaneous Detection and Repair of Wetting Defects in Superhydrophobic Coatings via Cassie–Wenzel Transitions of Liquid Marbles’ Advanced Functional Materials 29(26), - DOI: 10.1002/adfm.201900688
  12. H.J. Cho, N.S. Gould, V. Vattipalli, S. Sabnis, W. Chaikittisilp, T. Okubo, B. Xu, W. Fan, (2019) ‘Fabrication of hierarchical Lewis acid Sn-BEA with tunable hydrophobicity for cellulosic sugar isomerization’ Microporous and Mesoporous Materials 278(-), 387-396 DOI: 10.1016/j.micromeso.2018.12.046
  13. K. Muraoka, Y. Sada, D. Miyazaki, W. Chaikittisilp, T. Okubo, (2019) ‘Linking synthesis and structure descriptors from a large collection of synthetic records of zeolite materials’ Nature Communications 10(1), - DOI: 10.1038/s41467-019-12394-0
  14. K. Takahashi, L. Takahashi, (2019) ‘Creating Machine Learning-Driven Material Recipes Based on Crystal Structure’ Journal of Physical Chemistry Letters 10(2), 283-288 DOI: 10.1021/acs.jpclett.8b03527
  15. J. Ohyama, S. Nishimura, K. Takahashi, (2019) ‘Data Driven Determination of Reaction Conditions in Oxidative Coupling of Methane via Machine Learning’ ChemCatChem 11(17), 4307-4313 DOI: 10.1002/cctc.201900843
  16. S. Pruksawan, S. Samitsu, H. Yokoyama, M. Naito, (2019) ‘Homogeneously Dispersed Polyrotaxane in Epoxy Adhesive and Its Improvement in the Fracture Toughness’ Macromolecules 52(6), 2464-2475 DOI: 10.1021/acs.macromol.8b02450
  17. S. Maeda, Y. Harabuchi, (2019) ‘On Benchmarking of Automated Methods for Performing Exhaustive Reaction Path Search’ Journal of Chemical Theory and Computation 15(4), 2111-2115 DOI: 10.1021/acs.jctc.8b01182
  18. V. Ukleev, Y. Yamasaki, D. Morikawa, K. Karube, K. Shibata, Y. Tokunaga, Y. Okamura, K. Amemiya, M. Valvidares, H. Nakao, Y. Taguchi, Y. Tokura, T. Arima, (2019) ‘Element-specific soft x-ray spectroscopy, scattering, and imaging studies of the skyrmion-hosting compound Co8Zn8Mn4’ Physical Review B 99(14), - DOI: 10.1103/PhysRevB.99.144408
  19. T.M. Dieb, S. Ju, J. Shiomi, K. Tsuda, (2019) ‘Monte Carlo tree search for materials design and discovery’ MRS Communications 9(2), 532-536 DOI: 10.1557/mrc.2019.40
  20. L. Yang, K. Tőkési, B. Da, Z. Ding, (2019) ‘Determination of electron inelastic mean free path of three transition metals from reflection electron energy loss spectroscopy spectrum measurement data’ European Physical Journal D 73(2), - DOI: 10.1140/epjd/e2018-90551-6
  21. Y. Okuno, K. Ushirogata, K. Sodeyama, G. Shukri, Y. Tateyama, (2019) ‘ Structures, Electronic States, and Reactions at Interfaces between LiNi 0.5 Mn 1.5 O 4 Cathode and Ethylene Carbonate Electrolyte: A First-Principles Study ’ Journal of Physical Chemistry C 123(4), 2267-2277 DOI: 10.1021/acs.jpcc.8b10625
  22. K. Terayama, R. Tamura, Y. Nose, H. Hiramatsu, H. Hosono, Y. Okuno, K. Tsuda, (2019) ‘Efficient construction method for phase diagrams using uncertainty sampling’ Physical Review Materials 3(3), - DOI: 10.1103/PhysRevMaterials.3.033802
  23. K. Muraoka, Y. Sada, A. Shimojima, W. Chaikittisilp, T. Okubo, (2019) ‘Tracking the rearrangement of atomic configurations during the conversion of FAU zeolite to CHA zeolite’ Chemical Science 10(37), 8533-8540 DOI: 10.1039/c9sc02773d
  24. M. Hada, T. Hasegawa, H. Inoue, M. Takagi, K. Omoto, D. Chujo, S. Iemoto, T. Kuroda, T. Morimoto, T. Hayashi, T. Iijima, T. Tokunaga, N. Ikeda, K. Fujimori, C. Itoh, T. Nishikawa, Y. Yamashita, T. Kiwa, S.-Y. Koshihara, (2019) ‘One-Minute Joule Annealing Enhances the Thermoelectric Properties of Carbon Nanotube Yarns via the Formation of Graphene at the Interface’ ACS Applied Energy Materials 2(10), 7700-7708 DOI: 10.1021/acsaem.9b01736
  25. Y. Saito, K. Shin, K. Terayama, S. Desai, M. Onga, Y. Nakagawa, Y.M. Itahashi, Y. Iwasa, M. Yamada, K. Tsuda, (2019) ‘Deep-learning-based quality filtering of mechanically exfoliated 2D crystals’ npj Computational Materials 5(1), - DOI: 10.1038/s41524-019-0262-4
  26. W. Wang, C. Ma, X. Zhang, J. Shen, N. Hanagata, J. Huangfu, M. Xu, (2019) ‘High-performance printable 2.4 GHz graphene-based antenna using water-transferring technology’ Science and Technology of Advanced Materials 20(1), 870-875 DOI: 10.1080/14686996.2019.1653741
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  29. E. Watanabe, S.-C. Chung, S.-I. Nishimura, Y. Yamada, M. Okubo, K. Sodeyama, Y. Tateyama, A. Yamada, (2019) ‘Combined Theoretical and Experimental Studies of Sodium Battery Materials’ Chemical Record 19(4), 792-798 DOI: 10.1002/tcr.201800125
  30. K. Takahashi, L. Takahashi, (2019) ‘Data Driven Determination in Growth of Silver from Clusters to Nanoparticles and Bulk’ Journal of Physical Chemistry Letters 10(14), 4063-4068 DOI: 10.1021/acs.jpclett.9b01394
  31. S. Pruksawan, G. Lambard, S. Samitsu, K. Sodeyama, M. Naito, (2019) ‘Prediction and optimization of epoxy adhesive strength from a small dataset through active learning’ Science and Technology of Advanced Materials 20(1), 1010-1021 DOI: 10.1080/14686996.2019.1673670
  32. K. Kato, A. Ohara, H. Yokoyama, K. Ito, (2019) ‘Prolonged Glass Transition due to Topological Constraints in Polyrotaxanes’ Journal of the American Chemical Society 141(32), 12502-12506 DOI: 10.1021/jacs.9b06063
  33. T. Nagata, O. Bierwagen, Z. Galazka, M. Imura, S. Ueda, Y. Yamashita, T. Chikyow, (2019) ‘Photoelectron spectroscopic study of electronic states and surface structure of an in situ cleaved In2O3 (111) single crystal’ Japanese Journal of Applied Physics 58(-), - DOI: 10.7567/1347-4065/ab0ff0
  34. S. Ikeno, N. Nakano, K. Sano, T. Minowa, W. Sato, R. Akatsu, N. Sakata, N. Hanagata, M. Fujii, F. Itoh, S. Itoh, (2019) ‘PDZK1-interacting protein 1 (PDZK1IP1) traps Smad4 protein and suppresses transforming growth factor- (TGF-) signaling’ Journal of Biological Chemistry 294(13), 4966-4980 DOI: 10.1074/jbc.RA118.004153
  35. K. Shin, D.P. Tran, K. Takemura, A. Kitao, K. Terayama, K. Tsuda, (2019) ‘Enhancing Biomolecular Sampling with Reinforcement Learning: A Tree Search Molecular Dynamics Simulation Method’ ACS Omega 4(9), 13853-13862 DOI: 10.1021/acsomega.9b01480
  36. X. Li, T. Ogihara, M. Abe, Y. Nakamura, S. Yamago, (2019) ‘The Effect of Viscosity on the Diffusion and Termination Reaction of Organic Radical Pairs’ Chemistry - A European Journal 25(42), 9846-9850 DOI: 10.1002/chem.201902074
  37. L.H. Yang, K. Tokési, J. Tóth, B. Da, H.M. Li, Z.J. Ding, (2019) ‘Optical properties of silicon and germanium determined by high-precision analysis of reflection electron energy loss spectroscopy spectra’ Physical Review B 10(24), - DOI: 10.1103/PhysRevB.100.245209
  38. A. Ishikawa, K. Sodeyama, Y. Igarashi, T. Nakayama, Y. Tateyama, M. Okada, (2019) ‘Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents’ Physical Chemistry Chemical Physics 21(48), 26399-26405 DOI: 10.1039/c9cp03679b
  39. D.S. Bulgarevich, S. Tsukamoto, T. Kasuya, M. Demura, M. Watanabe, (2019) ‘Automatic steel labeling on certain microstructural constituents with image processing and machine learning tools’ Science and Technology of Advanced Materials 20(1), 532-542 DOI: 10.1080/14686996.2019.1610668
  40. B. Zhang, R. Sato, H. Momida, T. Ohno, M. Chundak, M. Naito, M. Yoshitake, Y. Takeda, (2019) ‘Spectral dependence of the third-order optical susceptibility of Au nanostructures: Experiments and first-principles calculations’ Physical Review B 100(3), - DOI: 10.1103/PhysRevB.100.035446
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  42. K. Sugiyama, Y. Sumiya, M. Takagi, K. Saita, S. Maeda, (2019) ‘Understanding CO oxidation on the Pt(111) surface based on a reaction route network’ Physical Chemistry Chemical Physics 21(26), 14366-14375 DOI: 10.1039/c8cp06856a
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  45. B. Vermang, G. Brammertz, M. Meuris, T. Schnabel, E. Ahlswede, L. Choubrac, S. Harel, C. Cardinaud, L. Arzel, N. Barreau, Deelen, J. Van P.-J. Bolt, P. Bras, Y. Ren, E. Jaremalm, S. Khelifi, S. Yang, J. Lauwaert, M. Batuk, (2019) ‘Wide band gap kesterite absorbers for thin film solar cells: Potential and challenges for their deployment in tandem devices’ Sustainable Energy and Fuels 3(9), 2246-2259 DOI: 10.1039/c9se00266a
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  47. Y. Katsura, M. Kumagai, T. Kodani, M. Kaneshige, Y. Ando, S. Gunji, Y. Imai, H. Ouchi, K. Tobita, K. Kimura, K. Tsuda, (2019) ‘Data-driven analysis of electron relaxation times in PbTe-type thermoelectric materials’ Science and Technology of Advanced Materials 20(1), 511-520 DOI: 10.1080/14686996.2019.1603885
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  50. J.-W. Liu, H. Oosato, B. Da, T. Teraji, A. Kobayashi, H. Fujioka, Y. Koide, (2019) ‘Operations of hydrogenated diamond metal-oxide-semiconductor field-effect transistors after annealing at 500 °C’ Journal of Physics D: Applied Physics 52(31), - DOI: 10.1088/1361-6463/ab1e31
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  52. M.B. Zakaria, A.A. Belik, T. Nagata, T. Takei, S. Tominaka, T. Chikyow, (2019) ‘Molecular magnetic thin films made from Ni-Co Prussian blue analogue anchored on silicon wafers’ Journal of Magnetism and Magnetic Materials 486(-), - DOI: 10.1016/j.jmmm.2019.165276
  53. R. Félix, W. Witte, D. Hariskos, S. Paetel, M. Powalla, M. Lozac'h, S. Ueda, M. Sumiya, H. Yoshikawa, K. Kobayashi, W. Yang, R.G. Wilks, M. Bär, (2019) ‘Near-Surface [Ga]/([In]+[Ga]) Composition in Cu(In,Ga)Se2 Thin-Film Solar Cell Absorbers: An Overlooked Material Feature’ Physica Status Solidi (A) Applications and Materials Science 216(18), - DOI: 10.1002/pssa.201800856
  54. X. Liu, Z. Hou, D. Lu, B. Da, H. Yoshikawa, S. Tanuma, Y. Sun, Z. Ding, (2019) ‘Unveiling the principle descriptor for predicting the electron inelastic mean free path based on a machine learning framework’ Science and Technology of Advanced Materials 20(1), 1090-1102 DOI: 10.1080/14686996.2019.1689785
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  56. K. Wu, F. Briffod, K. Ito, I. Shinozaki, P. Chivavibul, M. Enoki, (2019) ‘In-situ observation and acoustic emission monitoring of the initiation-to-propagation transition of stress corrosion cracking in SUS420J2 stainless steel’ Materials Transactions 60(10), 2151-2159 DOI: 10.2320/matertrans.MT-MAW2019004
  57. D.-N. Nguyen, T.-L. Pham, V.-C. Nguyen, A.-T. Nguyen, H. Kino, T. Miyake, H.-C. Dam, (2019) ‘A regression-based model evaluation of the Curie temperature of transition-metal rare-earth compounds’ Journal of Physics: Conference Series 1290(1), - DOI: 10.1088/1742-6596/1290/1/012009
  58. H. Nishigami, J. Kang, R.-I. Terada, H. Kino, K. Yamasaki, M. Tateno, (2019) ‘Is it possible for short peptide composed of positively- and negatively-charged "hydrophilic" amino acid residue-clusters to form metastable "hydrophobic" packing?’ Physical Chemistry Chemical Physics 21(19), 9683-9693 DOI: 10.1039/c9cp00103d
  59. T. Nakayama, Y. Igarashi, K. Sodeyama, M. Okada, (2019) ‘Material search for Li-ion battery electrolytes through an exhaustive search with a Gaussian process’ Chemical Physics Letters 731(-), - DOI: 10.1016/j.cplett.2019.136622
  60. J. Liu, T. Teraji, B. Da, Y. Koide, (2019) ‘High Output Current Boron-Doped Diamond Metal-Semiconductor Field-Effect Transistors’ IEEE Electron Device Letters 40(11), 1748-1751 DOI: 10.1109/LED.2019.2942967
  61. B. Da, J. Liu, Y. Harada, N.T. Cuong, K. Tsukagoshi, J. Hu, L. Yang, Z. Ding, H. Yoshikawa, S. Tanuma, (2019) ‘Observation of Plasmon Energy Gain for Emitted Secondary Electron in Vacuo’ Journal of Physical Chemistry Letters 10(19), 5770-5775 DOI: 10.1021/acs.jpclett.9b02135
  62. Y. Yokoyama, T.-H. Arima, M. Okada, Y. Yamasaki, (2019) ‘Sparse phase retrieval algorithm for observing isolated magnetic skyrmions by coherent soft X-ray diffraction imaging’ Journal of the Physical Society of Japan 88(2), - DOI: 10.7566/JPSJ.88.024009
  63. M. Ito, H. Takahashi, H. Sakai, H. Sagayama, Y. Yamasaki, Y. Yokoyama, H. Setoyama, H. Wadati, K. Takahashi, Y. Kusano, S. Ishiwata, (2019) ‘High pressure synthesis of a quasi-one-dimensional GdFeO3-type perovskite PrCuO3 with nearly divalent Cu ions’ Chemical Communications 55(61), 8931-8934 DOI: 10.1039/c9cc04656a
  64. G. Li, K. Kato, K. Mayumi, H. Yokoyama, K. Ito, (2019) ‘Efficient mechanical toughening of polylactic acid without substantial decreases in stiffness and transparency by the reactive grafting of polyrotaxanes’ Journal of Inclusion Phenomena and Macrocyclic Chemistry 93(1-2), 107-116 DOI: 10.1007/s10847-018-0857-2
  65. B. Da, H. Shinotsuka, H. Yoshikawa, S. Tanuma, (2019) ‘Comparison of the Mermin and Penn models for inelastic mean-free path calculations for electrons based on a model using optical energy-loss functions’ Surface and Interface Analysis 51(6), 627-640 DOI: 10.1002/sia.6628
  66. K. Tatejima, T. Nagata, K. Ishibashi, K. Takahashi, S. Suzuki, A. Ogura, T. Chikyow, (2019) ‘Effects of substrate self-bias and nitrogen flow rate on non-polar AlN film growth by reactive sputtering’ Japanese Journal of Applied Physics 58(-), - DOI: 10.7567/1347-4065/ab088f
  67. Y. Yamashita, T. Nagata, T. Chikyow, R. Hasunuma, K. Yamabe, (2019) ‘Spectroscopic observation of the interface states at the SiO2/4H-SiC(0001) interface’ e-Journal of Surface Science and Nanotechnology 17(-), 56-60 DOI: 10.1380/ejssnt.2019.56
  68. C. Özen, Y. Shoji, T. Fukushima, S. Maeda, (2019) ‘A Theoretical Study on the Mechanism of the Oxidative Deborylation/C-C Coupling Reaction of Borepin Derivatives’ Journal of Organic Chemistry 84(4), 1941-1950 DOI: 10.1021/acs.joc.8b02917
  69. Y. Fukunaga, Y. Fujii, S. Inada, Y. Tsumura, M. Asada, M. Naito, N. Torikai, (2019) ‘Dispersion state of carbon black in polystyrene produced with different dispersion media and its effects on composite rheological properties’ Polymer Journal 51(2), 275-281 DOI: 10.1038/s41428-018-0149-0
  70. S. Chinnathambi, S. Karthikeyan, N. Hanagata, N. Shirahata, (2019) ‘Molecular interaction of silicon quantum dot micelles with plasma proteins: Hemoglobin and thrombin’ RSC Advances 9(26), 14928-14936 DOI: 10.1039/c9ra02829c
  71. K. Tatejima, T. Nagata, K. Ishibashi, K. Takahashi, S. Suzuki, A. Ogura, T. Chikyow, (2019) ‘Crystal growth of a MnS buffer layer for non-polar AlN on Si (100) deposited by radio frequency magnetron sputtering’ Japanese Journal of Applied Physics 58(-), - DOI: 10.7567/1347-4065/aafd8e
  72. Y. Kagawa, M. Demura, (2019) ‘Special issue on development of materials integration in structural materials for innovation’ Materials Transactions 60(2), - DOI: 10.2320/matertrans.MPR2018905
  73. L. Takahashi, K. Takahashi, (2019) ‘Visualizing Scientists' Cognitive Representation of Materials Data through the Application of Ontology’ Journal of Physical Chemistry Letters 10(23), 7482-7491 DOI: 10.1021/acs.jpclett.9b02976
  74. K. Iwamitsu, M. Okada, I. Akai, (2019) ‘Bayesian Spectroscopy with a Replica Exchange Monte Carlo Method on an Excitonic Absorption Spectrum of a Cu2O Thin Crystal’ Journal of Physics: Conference Series 1220(1), - DOI: 10.1088/1742-6596/1220/1/012009
  75. K. Suzuki, S. Maeda, K. Morokuma, (2019) ‘Roles of Closed- and Open-Loop Conformations in Large-Scale Structural Transitions of l -Lactate Dehydrogenase’ ACS Omega 4(1), 1178-1184 DOI: 10.1021/acsomega.8b02813
  76. Y. Liu, S. Tsukamoto, H. Hongo, F. Yin, M. Tabuchi, F. Abe, (2019) ‘Microstructure Evolution of Fine-Grained Heat-Affected Zone of Gr.92 Steel Welded Joint During Creep’ Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science 50(7), 3080-3090 DOI: 10.1007/s11661-019-05245-6
  77. R. Murakami, H. Kageyama, K. Nakamura, H. Tanaka, H. Shinotsuka, H. Yoshikawa, K. Yoshihara, (2019) ‘Background estimation in X-ray photoelectron spectroscopy data using an active Shirley method with automated selection of the analytical range’ e-Journal of Surface Science and Nanotechnology 17(-), 61-68 DOI: 10.1380/ejssnt.2019.61
  78. T. Nagata, O. Bierwagen, Z. Galazka, S. Ueda, M. Imura, Y. Yamashita, T. Chikyow, (2019) ‘Photoelectron spectroscopic study on electronic state and electrical properties of SnO2 single crystals’ Japanese Journal of Applied Physics 58(8), - DOI: 10.7567/1347-4065/ab2c1e
  79. L. Xu, M.K. Choudhary, K. Muraoka, W. Chaikittisilp, T. Wakihara, J.D. Rimer, T. Okubo, (2019) ‘Bridging the Gap between Structurally Distinct 2D Lamellar Zeolitic Precursors through a 3D Germanosilicate Intermediate’ Angewandte Chemie - International Edition 58(41), 14529-14533 DOI: 10.1002/anie.201907857
  80. M. Wambach, N. Nguyen, S. Hamann, M. Nishio, S. Yagyu, T. Chikyow, A. Ludwig, (2019) ‘Electrical and Structural Properties of the Partial Ternary Thin-Film System Ni-Si-B’ ACS Combinatorial Science 21(4), 310-315 DOI: 10.1021/acscombsci.8b00175
  81. K. Terayama, A. Shinobu, K. Tsuda, K. Takemura, A. Kitao, (2019) ‘EvERdock BAI: Machine-learning-guided selection of protein-protein complex structure’ Journal of Chemical Physics 151(21), - DOI: 10.1063/1.5129551
  82. D. Lu, Z. Hou, X. Liu, B. Da, Z.J. Ding, (2019) ‘Ab Initio Simulation of Position-Dependent Electron Energy Loss and Its Application to the Plasmon Excitation of Nanographene’ Journal of Physical Chemistry C 123(41), 25341-25348 DOI: 10.1021/acs.jpcc.9b06602
  83. J. Liu, H. Ohsato, B. Da, Y. Koide, (2019) ‘High current output hydrogenated diamond triple-gate MOSFETs’ IEEE Journal of the Electron Devices Society 7(-), 561-565 DOI: 10.1109/JEDS.2019.2915250
  84. D.-N. Nguyen, T.-L. Pham, V.-C. Nguyen, H. Kino, T. Miyake, H.-C. Dam, (2019) ‘Ensemble learning reveals dissimilarity between rare-earth transition-metal binary alloys with respect to the Curie temperature’ JPhys Materials 2(3), - DOI: 10.1088/2515-7639/ab1738
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  86. H. Tsunoda, Y. Sun, M. Nishizawa, X. Liu, K. Amano, (2019) ‘An analysis of published journals for papers posted on bioRXiv’ Proceedings of the Association for Information Science and Technology 56(1), 783-784 DOI: 10.1002/pra2.175
  87. K. Koiwa, M. Tabuchi, M. Demura, M. Yamazaki, M. Watanabe, (2019) ‘Prediction of creep rupture time using constitutive laws and damage rules in 9Cr1Movnb steel welds’ Materials Transactions 60(2), 213-221 DOI: 10.2320/matertrans.ME201703
  88. K. Nagata, R. Muraoka, Y.-I. Mototake, T. Sasaki, M. Okada, (2019) ‘Bayesian spectral deconvolution based on Poisson distribution: Bayesian measurement and virtual measurement analytics (VMA)’ Journal of the Physical Society of Japan 88(4), - DOI: 10.7566/JPSJ.88.044003
  89. M.B. Zakaria, T. Nagata, T. Chikyow, (2019) ‘Mesostructured HfO2/Al2O3 Composite Thin Films with Reduced Leakage Current for Ion-Conducting Devices’ ACS Omega 4(12), 14680-14687 DOI: 10.1021/acsomega.9b01095
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  92. Yokobori, A. Toshimitsu G. Ozeki, T. Ohmi, T. Kasuya, N. Ishikawa, S. Minamoto, M. Enoki, (2019) ‘Dominating driven factors of hydrogen diffusion and concentration for the weld jointcoupled analysis of heat transfer induced thermal stress driven hydrogen diffusion’ Materials Transactions 60(2), 222-229 DOI: 10.2320/matertrans.ME201716
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  95. S. Chinnathambi, N. Hanagata, (2019) ‘Photostability of quantum dot micelles under ultraviolet irradiation’ Luminescence 34(5), 472-479 DOI: 10.1002/bio.3618
  96. S. Ito, T. Mori, A. Suzuki, H. Okubo, S. Yamamoto, T. Sato, F. Ye, (2019) ‘Design of Active Site at Heterointerface between Brownmillerite Type Oxide Promoter and Fluorite Cubic ZrO2 in Anode of Intermediate Temperature SOFCs’ ACS Applied Energy Materials 2(7), 5183-5197 DOI: 10.1021/acsaem.9b00864
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2018年
  1. J. Wang, Y. Yamada, K. Sodeyama, E. Watanabe, K. Takada, Y. Tateyama, A. Yamada, (2018) ‘Fire-extinguishing organic electrolytes for safe batteries’ Nature Energy 3(1), 22-29 DOI: 10.1038/s41560-017-0033-8
  2. Z. Tian, X. Yu, Z. Ruan, M. Zhu, Y. Zhu, N. Hanagata, (2018) ‘Magnetic mesoporous silica nanoparticles coated with thermo-responsive copolymer for potential chemo- and magnetic hyperthermia therapy’ Microporous and Mesoporous Materials 256(-), 1-9 DOI: 10.1016/j.micromeso.2017.07.053
  3. T. Yamashita, N. Sato, H. Kino, T. Miyake, K. Tsuda, T. Oguchi, (2018) ‘Crystal structure prediction accelerated by Bayesian optimization’ Physical Review Materials 2(1), - DOI: 10.1103/PhysRevMaterials.2.013803
  4. P. Pei, F. Yang, J. Liu, H. Hu, X. Du, N. Hanagata, S. Zhao, Y. Zhu, (2018) ‘Composite-dissolving microneedle patches for chemotherapy and photothermal therapy in superficial tumor treatment’ Biomaterials Science 6(6), 1414-1423 DOI: 10.1039/c8bm00005k
  5. D.S. Bulgarevich, S. Tsukamoto, T. Kasuya, M. Demura, M. Watanabe, (2018) ‘Pattern recognition with machine learning on optical microscopy images of typical metallurgical microstructures’ Scientific Reports 8(1), - DOI: 10.1038/s41598-018-20438-6
  6. M. Sumita, X. Yang, S. Ishihara, R. Tamura, K. Tsuda, (2018) ‘Hunting for Organic Molecules with Artificial Intelligence: Molecules Optimized for Desired Excitation Energies’ ACS Central Science 4(9), 1126-1133 DOI: 10.1021/acscentsci.8b00213
  7. Y. Xue, X. Zhou, T. Zhan, B. Jiang, Q. Guo, X. Fu, K. Shimamura, Y. Xu, T. Mori, P. Dai, Y. Bando, C. Tang, D. Golberg, (2018) ‘Densely Interconnected Porous BN Frameworks for Multifunctional and Isotropically Thermoconductive Polymer Composites’ Advanced Functional Materials 28(29), - DOI: 10.1002/adfm.201801205
  8. L. Jiang, C. Liu, K. Mayumi, K. Kato, H. Yokoyama, K. Ito, (2018) ‘Highly Stretchable and Instantly Recoverable Slide-Ring Gels Consisting of Enzymatically Synthesized Polyrotaxane with Low Host Coverage’ Chemistry of Materials 30(15), 5013-5019 DOI: 10.1021/acs.chemmater.8b01208
  9. Y. Saito, M. Oikawa, H. Nakazawa, T. Niide, T. Kameda, K. Tsuda, M. Umetsu, (2018) ‘Machine-Learning-Guided Mutagenesis for Directed Evolution of Fluorescent Proteins’ ACS Synthetic Biology 7(9), 2014-2022 DOI: 10.1021/acssynbio.8b00155
  10. K. Takahashi, L. Takahashi, I. Miyazato, Y. Tanaka, (2018) ‘Searching for Hidden Perovskite Materials for Photovoltaic Systems by Combining Data Science and First Principle Calculations’ ACS Photonics 5(3), 771-775 DOI: 10.1021/acsphotonics.7b01479
  11. K. Kobashi, R. Hayakawa, T. Chikyow, Y. Wakayama, (2018) ‘Multi-Valued Logic Circuits Based on Organic Anti-ambipolar Transistors’ Nano Letters 18(7), 4355-4359 DOI: 10.1021/acs.nanolett.8b01357
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  99. H. Miyamoto, P.K. Hong, T. Niihara, T. Kuritani, K. Fukumizu, H. Hino, K. Nagata, S. Akaho, Rodriguez, J.A. P H. Ryodo, S. Sugita, M. Okada, (2018) ‘Reflectance spectra of Asteroids and Meteorites: Their classifications and statistical comparisons’ Journal of Physics: Conference Series 1036(1), - DOI: 10.1088/1742-6596/1036/1/012003
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  101. K. Takahashi, (2018) ‘Designing a tunable magnet using cluster-assembled iron’ Journal of Applied Physics 123(1), - DOI: 10.1063/1.5010963

2017年
  1. S. Ju, T. Shiga, L. Feng, Z. Hou, K. Tsuda, J. Shiomi, (2017) ‘Designing nanostructures for phonon transport via Bayesian optimization’ Physical Review X 7(2), - DOI: 10.1103/PhysRevX.7.021024
  2. M.B. Zakaria, T. Chikyow, (2017) ‘Recent advances in Prussian blue and Prussian blue analogues: synthesis and thermal treatments’ Coordination Chemistry Reviews 352(-), 328-345 DOI: 10.1016/j.ccr.2017.09.014
  3. S. Kajiyama, L. Szabova, H. Iinuma, A. Sugahara, K. Gotoh, K. Sodeyama, Y. Tateyama, M. Okubo, A. Yamada, (2017) ‘Enhanced Li-Ion Accessibility in MXene Titanium Carbide by Steric Chloride Termination’ Advanced Energy Materials 7(9), - DOI: 10.1002/aenm.201601873
  4. X. Yao, Z. Tian, J. Liu, Y. Zhu, N. Hanagata, (2017) ‘Mesoporous silica nanoparticles capped with graphene quantum dots for potential chemo-photothermal synergistic cancer therapy’ Langmuir 33(2), 591-599 DOI: 10.1021/acs.langmuir.6b04189
  5. X. Li, X. Wang, J. Zhang, N. Hanagata, X. Wang, Q. Weng, A. Ito, Y. Bando, D. Golberg, (2017) ‘Hollow boron nitride nanospheres as boron reservoir for prostate cancer treatment’ Nature Communications 8(-), - DOI: 10.1038/ncomms13936
  6. N. Hanagata, (2017) ‘CpG oligodeoxynucleotide nanomedicines for the prophylaxis or treatment of cancers, infectious diseases, and allergies’ International Journal of Nanomedicine 12(-), 515-531 DOI: 10.2147/IJN.S114477
  7. X. Yang, J. Zhang, K. Yoshizoe, K. Terayama, K. Tsuda, (2017) ‘ChemTS: an efficient python library for de novo molecular generation’ Science and Technology of Advanced Materials 18(1), 972-976 DOI: 10.1080/14686996.2017.1401424
  8. E. Handick, P. Reinhard, R.G. Wilks, F. Pianezzi, T. Kunze, D. Kreikemeyer-Lorenzo, L. Weinhardt, M. Blum, W. Yang, M. Gorgoi, E. Ikenaga, D. Gerlach, S. Ueda, Y. Yamashita, T. Chikyow, C. Heske, S. Buecheler, A.N. Tiwari, M. Bär, (2017) ‘Formation of a K-In-Se surface species by NaF/KF postdeposition treatment of Cu(In,Ga)Se2 thin-film solar cell absorbers’ ACS Applied Materials and Interfaces 9(4), 3581-3589 DOI: 10.1021/acsami.6b11892
  9. H. Shinotsuka, B. Da, S. Tanuma, H. Yoshikawa, C.J. Powell, D.R. Penn, (2017) ‘Calculations of electron inelastic mean free paths. XI. Data for liquid water for energies from 50 eV to 30 keV’ Surface and Interface Analysis 49(4), 238-252 DOI: 10.1002/sia.6123
  10. T. Zhan, L. Fang, Y. Xu, (2017) ‘Prediction of thermal boundary resistance by the machine learning method’ Scientific Reports 7(1), - DOI: 10.1038/s41598-017-07150-7
  11. Pham, T. Lam H. Kino, K. Terakura, T. Miyake, K. Tsuda, I. Takigawa, Dam, H. Chi (2017) ‘Machine learning reveals orbital interaction in materials’ Science and Technology of Advanced Materials 18(1), 756-765 DOI: 10.1080/14686996.2017.1378060
  12. M.-H. Chen, Y.-J. Jenh, S.-K. Wu, Y.-S. Chen, N. Hanagata, F.-H. Lin, (2017) ‘Non-invasive Photodynamic Therapy in Brain Cancer by Use of Tb3+-Doped LaF3 Nanoparticles in Combination with Photosensitizer Through X-ray Irradiation: A Proof-of-Concept Study’ Nanoscale Research Letters 12(1), - DOI: 10.1186/s11671-017-1840-3
  13. T. Onaya, T. Nabatame, N. Sawamoto, A. Ohi, N. Ikeda, T. Chikyow, A. Ogura, (2017) ‘Improvement in ferroelectricity of HfxZr1-xO2 thin films using ZrO2 seed layer’ Applied Physics Express 10(8), - DOI: 10.7567/APEX.10.081501
  14. M. Goto, M. Sasaki, Y. Xu, T. Zhan, Y. Isoda, Y. Shinohara, (2017) ‘Control of p-type and n-type thermoelectric properties of bismuth telluride thin films by combinatorial sputter coating technology’ Applied Surface Science 407(-), 405-411 DOI: 10.1016/j.apsusc.2017.02.187
  15. Dieb, T. M. S. Ju, K. Yoshizoe, Z. Hou, J. Shiomi, K. Tsuda, (2017) ‘MDTS: automatic complex materials design using Monte Carlo tree search’ Science and Technology of Advanced Materials 18(1), 498-503 DOI: 10.1080/14686996.2017.1344083
  16. M. Callsen, K. Sodeyama, Z. Futera, Y. Tateyama, I. Hamada, (2017) ‘The solvation structure of lithium ions in an ether based electrolyte solution from first-principles molecular dynamics’ Journal of Physical Chemistry B 121(1), 180-188 DOI: 10.1021/acs.jpcb.6b09203
  17. T. Liang, S. Xie, Z. Huang, W. Fu, Y. Cai, X. Yang, H. Chen, X. Ma, H. Iwai, D. Fujita, N. Hanagata, M. Xu, (2017) ‘Elucidation of Zero-Dimensional to Two-Dimensional Growth Transition in MoS2 Chemical Vapor Deposition Synthesis’ Advanced Materials Interfaces 4(4), - DOI: 10.1002/admi.201600687
  18. K. Kobashi, R. Hayakawa, T. Chikyow, Y. Wakayama, (2017) ‘Negative Differential Resistance Transistor with Organic p-n Heterojunction’ Advanced Electronic Materials 3(8), - DOI: 10.1002/aelm.201700106
  19. H. Mitani, Y. Xu, T. Hirano, M. Demura, R. Tamura, (2017) ‘Catalytic properties of Ni-Fe-Mg alloy nanoparticle catalysts for methanol decomposition’ Catalysis Today 281(-), 669-676 DOI: 10.1016/j.cattod.2016.10.036
  20. S. Tokuda, K. Nagata, M. Okada, (2017) ‘Simultaneous estimation of noise variance and number of peaks in Bayesian spectral deconvolution’ Journal of the Physical Society of Japan 86(2), - DOI: 10.7566/JPSJ.86.024001
  21. Y. Ikeda, A. Carreras, A. Seko, A. Togo, I. Tanaka, (2017) ‘Mode decomposition based on crystallographic symmetry in the band-unfolding method’ Physical Review B 95(2), - DOI: 10.1103/PhysRevB.95.024305
  22. H. Xu, B. Da, J. Tóth, K. Tokési, Z.J. Ding, (2017) ‘Absolute determination of optical constants by reflection electron energy loss spectroscopy’ Physical Review B 95(19), - DOI: 10.1103/PhysRevB.95.195417
  23. M. Takagi, T. Taketsugu, H. Kino, Y. Tateyama, K. Terakura, S. Maeda, (2017) ‘Global search for low-lying crystal structures using the artificial force induced reaction method: A case study on carbon’ Physical Review B 95(18), - DOI: 10.1103/PhysRevB.95.184110
  24. S. Chinnathambi, N. Abu, N. Hanagata, (2017) ‘Biocompatible CdSe/ZnS quantum dot micelles for long-term cell imaging without alteration to the native structure of the blood plasma protein human serum albumin’ RSC Advances 7(5), 2392-2402 DOI: 10.1039/c6ra26592h
  25. B. Da, J. Liu, M. Yamamoto, Y. Ueda, K. Watanabe, Cuong, N. Thanh S. Li, K. Tsukagoshi, H. Yoshikawa, H. Iwai, S. Tanuma, H. Guo, Z. Gao, X. Sun, Z. Ding, (2017) ‘Virtual substrate method for nanomaterials characterization’ Nature Communications 8(-), - DOI: 10.1038/ncomms15629
  26. H. Oda, S. Kiyohara, K. Tsuda, T. Mizoguchi, (2017) ‘Transfer learning to accelerate interface structure searches’ Journal of the Physical Society of Japan 86(12), - DOI: 10.7566/JPSJ.86.123601
  27. A.K. Manoharan, S. Chinnathambi, R. Jayavel, N. Hanagata, (2017) ‘Simplified detection of the hybridized DNA using a graphene field effect transistor’ Science and Technology of Advanced Materials 18(1), 43-50 DOI: 10.1080/14686996.2016.1253408
  28. K. Kato, K. Nemoto, K. Mayumi, H. Yokoyama, K. Ito, (2017) ‘Ductile Glass of Polyrotaxane Toughened by Stretch-Induced Intramolecular Phase Separation’ ACS Applied Materials and Interfaces 9(38), 32436-32440 DOI: 10.1021/acsami.7b10845
  29. D. Payra, Y. Fujii, S. Das, J. Takaishi, M. Naito, (2017) ‘Rational design of a biomimetic glue with tunable strength and ductility’ Polymer Chemistry 8(10), 1654-1663 DOI: 10.1039/c6py02232d
  30. M.B. Zakaria, E.-Z.M. Ebeid, M.M. Abdel-Galeil, T. Chikyow, (2017) ‘Cyanide bridged coordination polymer nanoflakes thermally derived Ni3C and fcc-Ni nanoparticles for electrocatalysts’ New Journal of Chemistry 41(24), 14890-14897 DOI: 10.1039/c7nj03311g
  31. K. Takahashi, Y. Tanaka, (2017) ‘Role of descriptors in predicting the dissolution energy of embedded oxides and the bulk modulus of oxide-embedded iron’ Physical Review B 95(1), - DOI: 10.1103/PhysRevB.95.014101
  32. M. Vorokhta, I. Khalakhan, I. Matolínová, J. Nováková, S. Haviar, J. Lančok, M. Novotný, H. Yoshikawa, V. Matolín, (2017) ‘ PLD prepared nanostructured Pt-CeO 2 thin films containing ionic platinum ’ Applied Surface Science 396(-), 278-283 DOI: 10.1016/j.apsusc.2016.10.119
  33. T. Liang, S. Xie, W. Fu, Y. Cai, C. Shanmugavel, H. Iwai, D. Fujita, N. Hanagata, H. Chen, M. Xu, (2017) ‘Synthesis and fast transfer of monolayer MoS2 on reusable fused silica’ Nanoscale 9(21), 6984-6990 DOI: 10.1039/c7nr01755c
  34. K. Takahashi, L. Takahashi, J.D. Baran, Y. Tanaka, (2017) ‘Descriptors for predicting the lattice constant of body centered cubic crystal’ Journal of Chemical Physics 146(20), - DOI: 10.1063/1.4984047
  35. A. Muñoz-Castro, K. Takahashi, (2017) ‘Toward two-dimensional superatomic honeycomb structures. evaluation of [Ge9(Si(SiMe3))3]- as source of GeGe9-cluster building Blocks for Extended Materials’ Journal of Physical Chemistry C 121(3), 1934-1940 DOI: 10.1021/acs.jpcc.6b10251
  36. T. Nagata, O. Bierwagen, Z. Galazka, M. Imura, S. Ueda, H. Yoshikawa, Y. Yamashita, T. Chikyow, (2017) ‘Photoelectron spectroscopic study of electronic state and surface structure of In2O3 single crystals’ Applied Physics Express 10(1), - DOI: 10.7567/APEX.10.011102
  37. L. Takahashi, K. Takahashi, (2017) ‘Structural stability and electronic properties of an octagonal allotrope of two dimensional boron nitride’ Dalton Transactions 46(13), 4259-4264 DOI: 10.1039/c7dt00372b
  38. H. Xu, L.H. Yang, B. Da, J. Tóth, K. Tőkési, Z.J. Ding, (2017) ‘Study of optical and electronic properties of nickel from reflection electron energy loss spectra’ Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms 406(-), 475-481 DOI: 10.1016/j.nimb.2017.04.060
  39. T. Zhan, M. Goto, Y. Xu, Y. Kinoshita, M. Ishikiriyama, C. Nishimura, (2017) ‘Modification of thermal conductivity and thermal boundary resistance of amorphous Si thin films by Al doping’ RSC Advances 7(13), 7901-7905 DOI: 10.1039/c6ra27437d
  40. K. Takahashi, Y. Tanaka, (2017) ‘Unveiling descriptors for predicting the bulk modulus of amorphous carbon’ Physical Review B 95(5), - DOI: 10.1103/PhysRevB.95.054110
  41. H. Sakakibara, S.W. Jang, H. Kino, M.J. Han, K. Kuroki, T. Kotani, (2017) ‘Model-mapped RPA for determining the effective coulomb interaction’ Journal of the Physical Society of Japan 86(4), - DOI: 10.7566/JPSJ.86.044714
  42. Y. Xu, J. Sakurai, Y. Teraoka, A. Yoshigoe, M. Demura, T. Hirano, (2017) ‘ Initial oxidation behavior of Ni 3 Al (210) surface induced by supersonic oxygen molecular beam at room temperature ’ Applied Surface Science 391(-), 18-23 DOI: 10.1016/j.apsusc.2016.01.259
  43. J.D. Baran, C. Eames, K. Takahashi, M. Molinari, M.S. Islam, S.C. Parker, (2017) ‘Structural, Electronic, and Transport Properties of Hybrid SrTiO3-Graphene and Carbon Nanoribbon Interfaces’ Chemistry of Materials 29(17), 7364-7370 DOI: 10.1021/acs.chemmater.7b02253
  44. M. Imura, S. Tsuda, T. Nagata, R.G. Banal, H. Yoshikawa, A. Yang, Y. Yamashita, K. Kobayashi, Y. Koide, T. Yamaguchi, M. Kaneko, N. Uematsu, K. Wang, T. Araki, Y. Nanishi, (2017) ‘Surface and bulk electronic structures of heavily Mg-doped InN epilayer by hard X-ray photoelectron spectroscopy’ Journal of Applied Physics 121(9), - DOI: 10.1063/1.4977201
  45. S. Srivastava, H. Kino, C. Joachim, (2017) ‘Quantum half-adder Boolean logic gate with a nano-graphene molecule and graphene nano-electrodes’ Chemical Physics Letters 667(-), 301-306 DOI: 10.1016/j.cplett.2016.11.009
  46. N.A. Mahammedi, M. Ferhat, T. Tsumuraya, T. Chikyow, (2017) ‘Prediction of optically-active transitions in type-VIII guest-free silicon clathrate Si46: A comparative study of its physical properties with type-I counterpart through first-principles’ Journal of Applied Physics 122(20), - DOI: 10.1063/1.4999985
  47. Y. Nakagawa, A. Saitou, T. Aoyagi, M. Naito, M. Ebara, (2017) ‘Apoptotic Cell Membrane-Inspired Polymer for Immunosuppression’ ACS Macro Letters 6(9), 1020-1024 DOI: 10.1021/acsmacrolett.7b00592
  48. M. Chundak, M. Yoshitake, M. Vaclavu, V. Matolin, T. Chikyow, (2017) ‘Influence of chemical equilibrium in introduced oxygen vacancies on resistive switching in epitaxial Pt-CeO2 system’ Journal of Solid State Electrochemistry 21(3), 657-664 DOI: 10.1007/s10008-016-3400-7
  49. Y. Suzuki, T. Nagata, Y. Yamashita, T. Nabatame, A. Ogura, T. Chikyow, (2017) ‘Effect of y and Mn doping into rutile type TiO2/Ge stack structure by combinatorial synthesis’ Japanese Journal of Applied Physics 56(6), - DOI: 10.7567/JJAP.56.06GF11
  50. L. Takahashi, K. Takahashi, (2017) ‘Designing Mg7 cluster-assembled two dimensional crystal’ FlatChem 1(-), 57-59 DOI: 10.1016/j.flatc.2016.11.002
  51. H. Amekura, H. Shinotsuka, H. Yoshikawa, (2017) ‘Are the triple surface plasmon resonances in Zn nanoparticles true?’ Nanotechnology 28(49), - DOI: 10.1088/1361-6528/aa950d
  52. S. Katakami, H. Sakamoto, S. Murata, M. Okada, (2017) ‘Gaussian markov random field model without boundary conditions’ Journal of the Physical Society of Japan 86(6), - DOI: 10.7566/JPSJ.86.064801
  53. H. Segawa, S. Samitsu, N. Hirosaki, (2017) ‘Synthesis of silica glasses doped with SiAlON phosphors by supercritical drying’ International Journal of Applied Glass Science 8(2), 247-252 DOI: 10.1111/ijag.12246
  54. T. Nagata, T. Nakamura, R. Hayakawa, T. Yoshimura, S. Oh, N. Hiroshiba, T. Chikyow, N. Fujimura, Y. Wakayama, (2017) ‘Photoelectron spectroscopic study on monolayer pentacene thin-film/polar ZnO single-crystal hybrid interface’ Applied Physics Express 10(2), - DOI: 10.7567/APEX.10.025702
  55. T. Nakamura, T. Nagata, R. Hayakawa, T. Yoshimura, S. Oh, N. Hiroshiba, T. Chikyow, N. Fujimura, Y. Wakayama, (2017) ‘Crystallographic polarity effect of ZnO on thin film growth of pentacene’ Japanese Journal of Applied Physics 56(4), - DOI: 10.7567/JJAP.56.04CJ03
  56. J. Haruyama, K. Sodeyama, Y. Tateyama, (2017) ‘Atomic Structures and Electronic States at the surfaces and interfaces of CH3NH3PbI3 Perovskite’ Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications -(-), 165-182 DOI: 10.4324/9781315152424
  57. M.B. Zakaria, T. Chikyow, (2017) ‘Synergetic nanoporous Mn-Ru oxides as efficient electrocatalysts for the oxygen reduction reaction’ New Journal of Chemistry 41(16), 8196-8202 DOI: 10.1039/c7nj01408b
  58. C. Lutz, T. Hasegawa, T. Tsuchiya, C. Adelsberger, R. Hayakawa, T. Chikyow, (2017) ‘P-type polymer-based Ag2S atomic switch for "tug of war" operation’ Japanese Journal of Applied Physics 56(6), - DOI: 10.7567/JJAP.56.06GF03
  59. J. Kang, H. Kino, M.J. Field, M. Tateno, (2017) ‘Electronic structure rearrangements in hybrid ribozyme=protein catalysis’ Journal of the Physical Society of Japan 86(4), - DOI: 10.7566/JPSJ.86.044801
  60. S. Xie, M. Xu, S. Huang, T. Liang, S. Wang, H. Li, H. Iwai, K. Onishi, N. Hanagata, D. Fujita, X. Ma, D. Yang, (2017) ‘Inhomogeneous composition distribution in monolayer transition metal dichalcogenide alloys’ Materials Research Express 4(4), - DOI: 10.1088/2053-1591/aa6859
  61. R. Hayakawa, T. Chikyow, Y. Wakayama, (2017) ‘Vertical resonant tunneling transistors with molecular quantum dots for large-scale integration’ Nanoscale 9(31), 11297-11302 DOI: 10.1039/c7nr02463k
  62. X. Yang, K. Yoshizoe, A. Taneda, K. Tsuda, (2017) ‘RNA inverse folding using Monte Carlo tree search’ BMC Bioinformatics 18(1), - DOI: 10.1186/s12859-017-1882-7
  63. M. Sasaki, Y. Xu, M. Goto, (2017) ‘Control of friction force by light observed by friction force microscopy in a vacuum’ Applied Physics Express 10(1), - DOI: 10.7567/APEX.10.015201
  64. Y. Katsura, M. Kumagai, S. Gunji, Y. Imai, K. Kimura, (2017) ‘Development of "Starry data" web system for data curation of published experimental thermoelectric properties’ Funtai Oyobi Fummatsu Yakin/Journal of the Japan Society of Powder and Powder Metallurgy 64(8), 467-470 DOI: 10.2497/jjspm.64.467
  65. S. Srivastava, H. Kino, S. Nakaharai, E. Verveniotis, Y. Okawa, S. Ogawa, C. Joachim, M. Aono, (2017) ‘Quantum transport localization through graphene’ Nanotechnology 28(3), - DOI: 10.1088/1361-6528/28/3/035703
  66. F. Abe, M. Tabuchi, S. Tsukamoto, H. Kutsumi, (2017) ‘Alloy design of creep- and oxidation-resistant 9CR-boron steel beyond grades 91, 92 and 122’ ASME 2014 Symposium on Elevated Temperature Application of Materials for Fossil, Nuclear, and Petrochemical Industries, ETAM 2014 -(-), - DOI: 10.1115/ETAM2014-1005
  67. T. Zhan, H. Wang, Y. Xu, (2017) ‘Unexpectedly high thermal boundary resistance of Cr/graphene/SiO2 structure’ Japanese Journal of Applied Physics 56(5), - DOI: 10.7567/JJAP.56.055101
  68. Z. Zheng, B. Da, S.-F. Mao, Z.-J. Ding, (2017) ‘Calculation of Surface Excitation Parameters by a Monte Carlo Method’ Chinese Journal of Chemical Physics 30(1), 83-89 DOI: 10.1063/1674-0068/30/cjcp1607146
  69. S. Ishibashi, H. Kino, A. Uedono, T. Miyake, K. Terakura, (2017) ‘Prediction of positron-annihilation parameters for vacancy-type defects in ternary alloy semiconductors by data-scientific approach’ Journal of Physics: Conference Series 791(1), - DOI: 10.1088/1742-6596/791/1/012023
  70. T. Horiuchi, S. Minamoto, S. Ito, (2017) ‘Evaluation of the stability and precipitation behavior of G phase in dual-phase stainless steels by thermodynamic calculations’ 2017 International Congress on Advances in Nuclear Power Plants, ICAPP 2017 - A New Paradigm in Nuclear Power Safety, Proceedings -(-), - DOI: -
  71. J. Kawakita, T. Chikyow, (2017) ‘Polymer/Metal composite for flexible interconnect : Conductive, flexible, adhesive and productive material’ 2017 International Conference on Electronics Packaging, ICEP 2017 -(-), 359-362 DOI: 10.23919/ICEP.2017.7939395
  72. K. Nobusawa, M. Naito, (2017) ‘Nanoarchitectonics for Cyclodextrin-Mediated Solubilization and Nanoassembly of Therapeutic Agents’ Supra-materials Nanoarchitectonics -(-), 247-262 DOI: 10.1016/B978-0-323-37829-1.00011-0
  73. T. Yayama, Y. Gao, S. Okada, T. Chikyow, (2017) ‘Polarization modulation of nanotrenches in GaN (0001)/(0001′) by surface hydrogenation’ Japanese Journal of Applied Physics 56(11), - DOI: 10.7567/JJAP.56.111002
  74. J. Kawakita, T. Chikyow, (2017) ‘Conductive polymer/metal composite for filling of TSV’ ECS Transactions 80(4), 205-214 DOI: 10.1149/08004.0205ecst
  75. I. Kuwajima, (2017) ‘COVER STORY: Topics and products: Polymer database (PoLylnfo)’ Kobunshi 66(10), 559-560 DOI: -
  76. I. Miyazato, K. Takahashi, (2017) ‘Electronic structure of boron based single and multi-layer two dimensional materials’ Journal of Applied Physics 122(10), - DOI: 10.1063/1.4991033
  77. M. Ishii, A. Koizumi, Y. Fujiwara, (2017) ‘Dimerization of emission centers in Eu-doped GaN red light-emitting diode: Cooperative charge capturing using valence states coupling’ Journal of Physics Condensed Matter 29(2), - DOI: 10.1088/0953-8984/29/2/025702

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