投稿中論文

1. T. Nishizawa, S. Tokuda, A. Sanpei, M. Hasegawa, K. Yamasaki, and A. Fujisawa,"Equilibrium reconstruction of axisymmetric plasmas by combining Gaussian process regression and Markov chain Monte Carlo sampling", accepted in Plasma Phys. Control. Fusion.

2. Nydia Roxana Varela-Rosales, and Michael Engel, "Computational Self-Assembly of a Six-Fold Chiral Quasicrystal", (arxiv.org/abs/2408.01984)

3. Bappaditya Roy and Natsuhiko Yoshinaga, "Estimation of spatial and time scales of collective behaviours of active matters through learning hydrodynamic equations from particle dynamics", submitted, (arXiv:2411.03783)

4. M. Fukuda, and M. Ishikawa, Distinguishing 2-knots admitting circle actions by fundamental groups, submitted, (arXiv:2304.06276)

5. Hiroshi Idzuchi, Andres E Llacsahuanga Allcca, Anh Khoa Augustin Lu, Mitsuhiro Saito, Michel Houssa, Ruishen Meng, Kazutoshi Inoue, Xing-Chen Pan, Katsumi Tanigaki, Yuichi Ikuhara, Takeshi Nakanishi, and Yong P. Chen, "Enhanced ferromagnetism in artificially stretched lattice in quasi two-dimensional Cr2Ge2Te6”, accepted in in Physical Review B.(arxiv.org/abs/2306.08962)

6. Monteiro, R., Sau, K., "Landscape-Sketch-Step: An AI/ML-Based Metaheuristic for Surrogate Optimization Problems", (arXiv:2309.07936)

7. Uyen Tu Lieu, and Natsuhiko Yoshinaga, "Dynamic control of self-assembly of quasicrystalline structures through reinforcement learning", (arXiv:2309.06869)

8. Mizuki Fukuda, "Representations of branched twist spins with a non-trivial center of order 2", submitted.

9. Mizuki Fukuda, Motoko Kotani, Sonia Mahmoudi, "Construction of weaving and polycatenane motifs from periodic tilings of the plane", submitted.

10. Zhen Lu, Anh Khoa Augustin Lu, Fan Zhang, Yuan Tian, Jing Jiang, Daixiu Wei, Jiuhui Han, Qingyang Gao, Koji Ohara, Hidemi Kato, Akihiko Hirata, and Mingwei Chen, "Crystal-like Order Stabilizing Glasses: Structural Origin of Ultra-stable Metallic Glasses", Submitted

11. Rafael Monteiro, "Binary Classification as a Phase Separation Process", (arXiv:2009.02467)

12. Chen Tao, "A Construction of Converging Goldberg-Coxeter Subdivisions of a Discrete Surface", Nagoya Math. J, submitted.

発表論文

1. Masayuki Okugawa, Dmitri V. Louzguine, Yuichiro Koizumi, and Takeshi Nakanishi, "Promoting the ordering of L1₀-FeNi phase via chemical interactions with substrate: A molecular dynamics simulation study", Scripta Materialia 255 (2025) 116398. DOI:10.1016/j.scriptamat.2024.116398

2. F. R. Pratama and Takeshi Nakanishi, "Majorana representation for topological edge states of massless Dirac fermion with nonquantized Berry phase", Phys. Rev. Research 6 (2024) 043146. DOI:10.1103/PhysRevResearch.6.043146, (arXiv:2406.17919)

3. Shinji Kohara, Shuya Sato, Motoki Shiga, Yohei Onodera, Hirokazu Masai, Toru Wakihara, Atsunobu Masuno, Akihiko Hirata, Naoto Kitamura, Yasushi Idemoto, Koji Kimura, and Koichi Hayashi, "Unravelling the density-driven modification of the topology generated by the interconnection of SiO₄ tetrahedra in silica polymorphs", Journal of the Ceramic Society of Japan (2024) 24093. DOI:10.2109/jcersj2.24093

4. Rania Amairi, Adlen Smiri, and Sihem Jaziri, "Layer-number and strain effects on the structural and electronic properties of PtSe₂ material", Rania Amairi et al 2025 J. Phys.: Condens. Matter 37 (2024) 035501. DOI:10.1088/1361-648X/ad8697

5. F. R. Pratama and Takeshi Nakanishi, "Topological edge states of massless fermions with nonquantized and zero Berry phases", Phys. Rev. B 110 (2024) L161409. DOI:10.1103/PhysRevB.110.L161409, (arXiv:2406.17914)

6. Tatsuro Kai, Takahiro Abe, Natsuhiko Yoshinaga, Shuichi Nakamura, Seishi Kudo, and Shoichi Toyabe, "Collective gradient sensing by dilute swimming bacteria without clustering", Physical Review Research 6 (2024) L032061. DOI:10.1103/PhysRevResearch.6.L032061

7. Tetsuya Morishita, Megumi Kayanuma, and Tomohisa Kato, “Ab Initio Molecular Dynamics Approach for Oxidation of SiC Surface in Contact with Aqueous H₂O₂ Solutions”, J. Phys. Chem. C 128 (2024) 16943−16951. DOI:10.1021/acs.jpcc.4c03112?urlappend=%3Fref%3DPDF&jav=VoR&rel=cite-as

8. Tetsuya Morishita and Masashige Shiga, “Ab Initio Characterization of the CO₂–Water Interface Using Unsupervised Machine Learning for Dimensionality Reduction”, J. Phys. Chem. B 128 (2024) 5781-5791. DOI:10.1021/acs.jpcb.4c01526

9. Masashige Shiga, Tetsuya Morishita, Naoki Nishiyama, Masao Sorai, Masaatsu Aichi, and Ayaka Abe, “Atomic-Scale Insights into the Phase Behavior of Carbon Dioxide and Water from 313 to 573 K and 8 to 30 MPa”, ACS Omega 9 (2024) 20976-20987. DOI:10.1021/acsomega.4c00133

10. Yusuke Yasuda and Hiroshi Morita, "Structural Analysis of the Linear Elasticity of End-Cross-Linked Star Elastomers with a Number of Trapped Entanglements via Coarse-Grained Molecular Dynamics Simulations", Macromolecules 57 (2024) 4804. DOI:10.1021/acs.macromol.3c02489

11. Kengo Nishio, "Liquidus curve of a Lennard-Jones mixture", Phys. Rev. E 109 (2024) 044110. DOI:10.1103/PhysRevE.109.044110

12. Takenobu Nakamura, "Derivation of the Invariant Free-Energy Landscape Based on Langevin Dynamics", Phys. Rev. Lett. 132 (2024) 137101 . DOI:10.1103/PhysRevLett.132.137101

13. Hiroki Kodama, Hiroshi Morita, and Motoko Kotani, "A mathematical model of thermoplastic elastomers for analysing the topology of microstructures and mechanical properties during elongation”,Proc. R. Soc. A 480 (2024) 20230389. DOI:10.1098/rspa.2023.0389

14. Masashige Shiga, Tetsuya Morishita, Masaatsu Aichi, Naoki Nishiyama, and Masao Sorai, “Correlation between Contact Angle and Water Film Energetics in Carbon Dioxide−Water−Clay Mineral Interfacial Systems: A Molecular Dynamics Study”, Energy & Fuels 37 (2023) 16688-16700. DOI:10.1021/acs.energyfuels.3c02471

15. Yusuke Yasuda, Shintaro Nakagawa, Hirohiko Houjou, Naoko Yoshie, and Hiroshi Morita, "Coarse-Grained Molecular Dynamics Simulations of Dynamic Bond Elastomers Using Interbead Potentials for Entropy- and Enthalpy-Driven Mechanisms in Their Dynamics and Mechanical Properties”, Macromolecules 56 (2023) 7432. DOI:10.1021/acs.macromol.3c00221

16. Masashige Shiga, Tetsuya Morishita, and Masao Sorai, "Interfacial tension of carbon dioxide − water under conditions of CO₂ geological storage and enhanced geothermal systems: A molecular dynamics study on the effect of temperature”, Fuel 337 (2023) 127219. DOI:10.1016/j.fuel.2022.127219

17. Kartik Sau, Shigeyuki Takagi, Tamio Ikeshoji, Kazuaki Kisu, Ryuhei Sato, Egon Campos dos Santos, Hao L, Rana Mohtadi, and Shin-ichi Orimo, “Unlocking the secrets of ideal fast ion conductors for all-solid-state batteries", Communications Materials 5 (2024) 122. DOI:10.1038/s43246-024-00550-z

18. Anh Khoa Augustin Lu, Jianbo Lin, Yasunori Futamura, Tetsuya Sakurai, Ryo Tamura, and Tsuyoshi Miyazaki, "Extraction of local structure differences in Silica based on unsupervised learning", Phys. Chem. Chem. Phys. 26 (2024) 11657–11666. DOI:10.1038/s41598-024-64380-2

19. Akihiko Hirata, Satoru Tokuda, Chihiro Nakajima, and Siyuan Zha, "Local structural modelling and local pair distribution function analysis for Zr–Pt metallic glass", Scientific Reports 14 (2024) 13322. DOI:10.1038/s41598-024-64380-2

20. Zeng, M., Carlos, E., Ikeshoji, T., Takagi, S., Kim, S., Orimo, S., Barrio, M., Tamarit, J., Lloveras, P., Cazorla, C., Sau, K.,"Colossal reversible barocaloric effects in a plastic crystal mediated by lattice vibrations and ion diffusion", Advanced Science (2024) 2306488. DOI:10.1002/advs.202306488,(arXiv:2302.06993)

21. Akihiko Hirata, Shuya Sato, Motoki Shiga, Yohei Onodera, Koji Kimoto, and Shinji Kohara, "Direct observation of the atomic density fluctuation originating from the first sharp diffraction peak in SiO₂ glass", NPG Asia Materials 16 (2024) 25. DOI:10.1038/s41427-024-00544-w

22. E.N. Zanaeva, Anh Khoa Augustin Lu, and D.V. Louzguine-Luzgin, "On atomic segregation in metallic glasses induced by shear deformation: A computer simulation study", Computational Materials Science 238 (2024) 112923. DOI:10.1016/j.commatsci.2024.112923

23. Michael I. Ojovan, and Dmitri V. Louzguine-Luzgin, "On Crossover Temperatures of Viscous Flow Related to Structural Rearrangements in Liquids", Materials 17 (2024) 1261. DOI:10.3390/ma17061261

24. D.V. Louzguine-Luzgin, Yu.P. Ivanov, V. Semin, N. Nohira, H. Hosoda, and A.L. Greer, "On polymorphic crystal growth in a Ti-Ni-Cu-Fe system metallic glass at the glass-transition temperature", Scripta Materialia 242 (15) (2024) 115927. DOI:10.1016/j.scriptamat.2023.115927

25. D.V. Louzguine-Luzgin, "Vitrification and crystallization of Ti and Ti₂Ni alloy studied by computer simulation", proceedings of 2023 Congress in Computer Science, Computer Engineering, & Applied Computing (CSCE 2023) 2057-2060. DOI: 10.1109/CSCE60160.2023.00338.

26. Kenta Goto, Kyoka Nakanishi, Fumito Tani, and Satoru Tokuda "Chemical reaction in a liquid–liquid phase‐separated multipledroplet: Synchronization of color change dynamics withdroplet movemen", Droplet 3 (1) (2024) e93. DOI:10.1002/dro2.93

27. Satoshi Iihama, Yuya Koike, Shigemi Mizukami, and Natsuhiko Yoshinaga, "Universal scaling between wave speed and size enables nanoscale high-performance reservoir computing based on propagating spin-waves", npj Spintronics 2 (2024) 5. DOI:10.1038/s44306-024-00008-5, (arXiv:2301.02193)

28. Saki Nishikawa, Gaku Sato, Sakura Takada, Shunshi Kohyama, Gen Honda, Miho Yanagisawa, Yutaka Hori, Nobuhide Doi, Natsuhiko Yoshinaga, and Kei Fujiwara, “Multimolecular Competition Effect as a Modulator of Protein Localization and Biochemical Networks in Cell-Size Space", Advanced Science 11 (2024) 2308030. DOI:10.1002/advs.202308030

29. D.V. Louzguine-Luzgin, and Fenda R. Pratama,“In-situ studies of primary nucleation and growth of the cubic Al₁₉Fe₄MnSi₂ phase in an Al–Fe–Mn–Si metallic glass", Intermetallics 164 (2024) 108120. DOI:10.1016/j.intermet.2023.108120

30. Kengo Nishio, and Anh Khoa Augustin Lu, “Unveiling a medium-range structural commonality of amorphous alloys", Journal of Non-Crystalline Solids 624 (2024) 122696. DOI:10.1016/j.jnoncrysol.2023.122696

31. Burai Murayama, Masato Kobayashi, Masamitsu Aoki, Suguru Ishibashi, Takuya Saito, Takenobu Nakamura, Hiroshi Teramoto, and Tetsuya Taketsugu, "Characterizing Reaction Route Map of Realistic Molecular Reactions based on Weight Rank Clique Filtration of Persistent Homology", J. Chem. Theory Comput.19 (15) (2023) 5007–5023. DOI:10.1021/acs.jctc.2c01204

32. Hiroshi Teramoto, Takuya Saito, Masamitsu Aoki, Burai Murayama, Masato Kobayashi, Takenobu Nakamura, and Tetsuya Taketsugu, "Reproducing Reaction Route Map on the Shape Space from its Quotient by Complete Nuclear Permutation-Inversion group", J. Chem. Theory Comput. 19 (17) (2023) 5886–5896. DOI:10.1021/acs.jctc.3c00500

33. Mizuki Fukuda, Motoko Kotani, and Sonia Mahmoudi, "Classification of doubly periodic untwisted (p,q)-weaves by their crossing number and matrices", Journal of Knot Theory and Its Ramifications 32 (05) (2023) 2350032. DOI:10.1142/S0218216523500323

34. Ryohei Hosoya, and Hiroshi Morita, "Machine learning for analyzing phase-separated structures of ABA triblock copolymer blends in elongation", Macromolecules 56 (17) (2023) 6692-6703.DOI:10.1021/acs.macromol.3c00532

35. Ryohei Hosoya, and Hiroshi Morita, "Stress Chain Analysis for an ABA Triblock Copolymer Using Principal Component Scores", Journal of Physical Chemistry B 127 (31) (2023) 7035-7047.DOI:10.1021/acs.jpcb.3c01846

36. Toru Kajigaya, "Nonexistence of stable discrete maps into some homogeneous spaces of nonnegative curvature", Annali di Matematica Pura ed Applicata 203 (2024) 563-603. ((2023)0nline first) DOI:10.1007/s10231-023-01374-3, (arXiv:2306.14098)

37. D.V. Louzguine-Luzgin, and Kenji Shinozaki, "Metallic glass reinforcement for the enhanced mechanical performance of oxide glass", Materials Letters 352 (2023) 135193. DOI:10.1016/j.matlet.2023.135193

38. S. Romankov, Y.C. Park, Y. Miyauchi, D.V. Louzguine-Luzgin, and S. Komarov, "Tailoring the composition and microstructure of W-based coatings on metallic sheets by varying the type and combination of milling balls", Journal of Alloys and Compounds 966 (2023) 171638. DOI:10.1016/j.jallcom.2023.171638

39. D. V. Louzguine-Luzgin, Yurii P. Ivanov, and A. Lindsay Greer, "Separate primary crystallization of three crystalline phases in a nearly eutectic Cu58Y37Sc5 metallic glass on heating and deformation", Journal of Alloys and Compounds 960 (2023) 170618. DOI:10.1016/j.jallcom.2023.170618

40. Yu-Zhang Jiao, D.V. Louzguine-Luzgin, Ke-Fu Yao, Zheng-Jun Zhang, and Na Chen, "A room-temperature magnetic semiconductor from a Co-Fe-Nb-B metallic glass", Science China: Physics, Mechanics and Astronomy 66 (4) (2023) 246111. DOI:10.1007/s11433-022-2042-x

41. Takashi Nishizawa, Satoru Tokuda, Tatsuya Kobayashi, K Tanakaet, H Funaba, I Yamada, Y Takemura, T Tokuzawa, R Yasuhara, and H Uehara, "Estimation of plasma parameter profiles and their derivatives from linear observations by using Gaussian processes", Plasma Phys. Control. Fusion 65 (2023) 125006. DOI:10.1088/1361-6587/ad074a,(表表紙)

42. Ryuhei Sato, Kazuto Akagi, Shigeyuki Takagi, Sau Kartik, Kazuaki Kisu, Hao Li, and Shin-ichi Orimo, "Topological Data Analysis of Ion Migration Mechanism", J. Chem. Phys.158 (2023) 144116.DOI:10.1063/5.0143387

43. Sakti Pada Shit, N.K. Ghosh, Sudipta Pal, and Sau Kartik, "Particle size and temperature effects on thermal conductivity of aqueous ag nanofluids: modelling and simulations using classical molecular dynamics", European Physical Journal D 76 (12) (2022) 238. DOI:10.1140/epjd/s10053-022-00561-w

44. Sakti Pada Shit, Sudipta Pal, N.K. Ghosh, and Sau Kartik, "Enhanced thermophysical properties of water-based single and hybrid metallic nanofluids: Insights from equilibrium molecular dynamics", Chemical Thermodynamics and Thermal Analysis 8 (2022) 100096. DOI:10.1016/j.ctta.2022.100096

45. Norihiro Oyama, Hideyuki Mizuno, and Atsushi Ikeda, "Shear-induced criticality in glasses shares qualitative similarities with the Gardner phase", Soft Matter 19 (2023) 6074–6087. DOI:10.1039/D3SM00512G, (arxiv.org/abs/2109.08849), 中表紙

46. Anri Watanabe, Masayuki Omiya, Makoto Sato, Hiromitsu Furukawa, Nobuko Fukuda, and Hiroshi Minagawa "Evaluation of near-infrared spectroscopy as a contactless method for health monitoring of resin-based coating materials applied to concrete surfaces", PLoS ONE 18 (6) (2023) e0287918. DOI:10.1371/journal.pone.0287918

47. Kartik Sau, Shigeyuki Takagi, Tamio Ikeshoji, Kazuaki Kisu, Ryuhei Sato, and Shin-ichi Orimo, "The role of cation size in the ordered–disordered phase transition temperature and cation hopping mechanism based on LiCB11H12", Materials Advances 4 (10) (2023) 2269–2280. DOI:10.1039/D2MA00936F, (journal cover)

48. Yueyuan Gao and Natsuhiko Yoshinaga, "Inverse problems of inhomogeneous fracture toughness using phase-field models", Physica D 448 (2023) 133734. DOI:10.1016/j.physd.2023.133734, (arXiv:2207.02441)

49. D.V. Louzguine-Luzgin, E.N. Zanaeva, F.R. Pratama,T. Wada, and S. Ito, "Structural peculiarities of Pd-Cu-Ni-P and Pt-Cu-Ni-P metallic glasses as a reason for their significantly different room-temperature plasticity", Scripta Materialia 231 (2023) 115468. DOI:10.1016/j.scriptamat.2023.115468

50. Kengo Nishio, "Cluster classification by chemi-topology", Computer Physics Communications 286 (2023) 108659. DOI:10.1016/j.cpc.2023.108659

51. Shin Hayashi, "An index theorem for quarter-plane Toeplitz operators via extended symbols and gapped invariants related to corner states", Communications in Mathematical Physics 400 (2023) 429–462. DOI:10.1007/s00220-022-04600-w, (arXiv:2203.09117)

52. Natsuhiko Yoshinaga, and Satoru Tokuda, "Bayesian Modelling of Pattern Formation from One Snapshot of Pattern", Phys. Rev. E 106 (2022) 065301. DOI:10.1103/PhysRevE.106.065301, (arXiv:2006.06125)

53. Satoru Tokuda, Kenji Nagata, and Masato Okada, "Intrinsic regularization effect in Bayesian nonlinear regression scaled by observed data", Physical Review Research 4 (2022) 043165. DOI:10.1103/PhysRevResearch.4.043165

54. Hiroshi Morita, Satoshi Yoda, Takumi Ono, Kouhei Tazumi, and Takeshi Furuya, "Analysis of nanocellular foaming with nucleating agents based on coarse-grained molecular dynamics simulations", Polymer 254 (2022) 125059. DOI:10.1016/j.polymer.2022.125059

55. Ryohei Hosoya, Makiko Ito, Ken Nakajima, and Hiroshi Morita, "Coarse-Grained Molecular Dynamics Study of Styrene-block-isoprene-block-styrene Thermoplastic Elastomer Blends", ACS Applied Polymer Materials 4 (4) (2022) 2401-2413. DOI:10.1021/acsapm.1c01684

56. Masanari Shimada, and Norihiro Oyama, "Gas-liquid phase separation at zero temperature: mechanical interpretation and implications for gelation", Soft Matter 18 (2022) 8406-8417. DOI:10.1039/D2SM00628F, (arXiv:2011.12489)

57. Takahiro Hashinaga, and Toru Kajigaya, "Equivarint realizations of Hermitian symmetric spaces of noncompact type", Mathematische Zeitschrift 300 (2022) 2363–2411. DOI:10.1007/s00209-021-02872-x, (arxiv.org/abs/2012.05039)

58. Ippei Obayashi, Takenobu Nakamura, and Yasuaki Hiraoka, "Persistent Homology Analysis for Materials Research and Persistent Homology Software: HomCloud", J. Phys. Soc. Jpn. 91 (2022) 091013. DOI:10.7566/JPSJ.91.091013

59. Yanjie Xia, Zhen Lu, Jiuhui Han, Fan Zhang, Daixiu Wei, Kentaro Watanabe, and Mingwei Chen, "Bulk diffusion regulated nanopore formation during vapor phase dealloying of a Zn-Cu alloy", Acta Mater. 238 (2022) 118210. DOI:10.1016/j.actamat.2022.118210

60. Kouki Yonaga, Masamichi Miyama, Masayuki Ohzeki, Koji Hirano, Hirokazu Kobayashi, and Tetsuaki Kurokawa, "Quantum Optimization with Lagrangian Decomposition for Multiple-process Scheduling in Steel Manufacturing", ISIJ International 62 (9) (2022) 1874–1880. DOI:10.2355/isijinternational.ISIJINT-2022-019

61. Dmitri V. Louzguine-Luzgin, Anri Watanabe, and Victor O. Semin, "Double spray forming machine and its applications to layered light-metals materials production", Journal of Manufacturing Processes 84 (2022) 727-733. DOI:10.1016/j.jmapro.2022.10.022

62. Kengo Nishio, "Vorotis: Software for Voronoi tessellation analysis using the polyhedron code", Comput. Phys. Commun. 278 (2022) 108418. DOI:10.1016/j.cpc.2022.108418

63. Tetsuya Morishita, Megumi Kayanuma, Takenobu Nakamura, and Tomohisa Kato, "Cooperative Reaction of Hydrogen-Networked Water Molecules at the SiC−H₂O₂ Solution Interface: Microscopic Insights from Ab Initio Molecular Dynamics", J. Phys. Chem. C 126 (30) (2022) 12441–12449. DOI:10.1021/acs.jpcc.2c02464

64. Sakura Takada, Natsuhiko Yoshinaga, Nobuhide Doi, and Kei Fujiwara, "Controlling periodicity of a reaction–diffusion wave in artificial cells by a two-way energy supplier", ACS Nano 16 (10) (2022) 6853-16861. DOI:10.1021/acsnano.2c06756

65. D.V. Louzguine-Luzgin, "Structural changes in metallic glass - forming liquids on cooling and subsequent vitrification in relationship with their properties", Materials 15 (20) (2022) 7285. DOI:10.3390/ma15207285

66. V.O. Semin, J. Jiang, R.Y. Umetsu, D.V. Louzguine-Luzgin, "Characterization of Fe-Ni-Pt(Zr) magnetron deposited thin films subjected to low-temperature annealing", Thin Solid Films 756 (2022) 139347. DOI:10.1016/j.tsf.2022.139347

67. D. V. Louzguine-Luzgin, J. Jiang, G. R. Aripov, Yu. P. Ivanov, and V. I. Polkin, "High-entropy approach starting from a corner of the phase diagram in designing high strength Fe–Mn–Co-based alloys with good tensile ductility", MRS Bulletin 47 (2022) 134–143. DOI:10.1557/s43577-021-00190-5

68. Miho Yanagisawa, Chiho Watanabe, Natsuhiko Yoshinaga, and Kei Fujiwara, "Cell-size space regulates behaviors of confined polymers: From Nano- and Micromaterial Science to Biology", Langmuir 38 (39) (2022) 11811–11827. DOI:10.1021/acs.langmuir.2c01397

69. Uyen Tu Lieu, and Natsuhiko Yoshinaga, "Formation and Fluctuation of Two-dimensional Dodecagonal Quasicrystal", Soft Matter 18 (2022) 7497-7509. DOI:10.1039/d2sm00798c, (arXiv:2206.08162),(裏表紙)

70. Akihiko Hirata, "Virtual Angstrom-Beam Electron Diffraction Analysis for Zr₈₀Pt₂₀ Metallic Glasses", Quantum Beam Sci. 6 (4) (2022) 28. DOI:10.3390/qubs6040028

71. Toru Kajigaya, and Ryokichi Tanaka, "Uniformizing surfaces via discrete harmonic maps", Annales Henri Lebesgue 4 (2021) 1767-1807. DOI:10.5802/ahl.116/, (arXiv:1905.05427)

72. Jiuhui Han, Hongping Li, Zhen Lu, Gang Huang, Isaac Johnson, Kentaro Watanabe, and Mingwei Chen, "3D Bimodal Porous Amorphous Carbon with Self-Similar Porosity by Low-Temperature Sequential Chemical Dealloying", Chem. Mater. 33 (3) (2021) 1013-1021. DOI:10.1021/acs.chemmater.0c04328

73. Takayuki Kuroda, Takuya Kuwahara, Kouki Yonaga, Takao Osaki, Masamichi J. Miyama, and Masayuki Ohzeki, "Quantum annealing for ICT system design automation", Conference Proceedings of 2021 IEEE/ACM 21st International Symposium on Cluster, Cloud and Internet Computing (CCGrid) (2021) 156-165. DOI:10.1109/CCGrid51090.2021.00025

74. Shin Hayashi, "Classification of topological invariants related to corner states", Letters in Mathematical Physics 111 (2021) 118. DOI:10.1007/s11005-021-01460-8, (arXiv:2102.12231)

75. Ruirui Song, Jiuhui Han, Masayuki Okugawa, Rodion Belosludov, Takeshi Wada, Jing Jiang, Daixiu Wei, Akira Kudo, Yuan Tian, and Mingwei Chen, "Ultrafine nanoporous intermetallic catalysts by high-temperature liquid metal dealloying for electrochemical hydrogen production", Nature Communications 13 (2022) 5157. DOI:10.1038/s41467-022-32768-1

76. Fenda R. Pratama, Riichiro Saito, and Nguyen T. Hung, "Magneto-Seebeck coefficient of the Fermi liquid in three-dimensional Dirac and Weyl semimetals", Phys. Rev. B 106 (2022) L081304. DOI:10.1103/PhysRevB.106.L081304

77. Mitsuhiro Okada,Jiang Pu, Yung-Chang Lin, Takahiko Endo, Naoya Okada, Wen-Hsin Chang,Anh Khoa Augustin Lu, Takeshi Nakanishi, Tetsuo Shimizu, Toshitaka Kubo, Yasumitsu Miyata, Kazu Suenaga, Taishi Takenobu, Takatoshi Yamada, and Toshifumi Irisawa, "Large-Scale 1T′-Phase Tungsten Disulfide Atomic Layers Grown by Gas-Source Chemical Vapor Deposition", ACS Nano 16 (8) (2022) 13069–13081. DOI:10.1021/acsnano.2c05699

78. Kartik Sau, and Tamio Ikeshoji, "Insights of cationic diffusion in nickel-based honeycomb layered tellurates using molecular dynamics simulation", Solid State Ionics 383 (1) (2022) 115982. DOI:10.1016/j.ssi.2022.115982

79. Anh Khoa Augustin Lu, and Dmitri V. Louzguine-Luzgin, "Crystal nucleation and growth processes in Cu-rich glass-forming Cu–Zr alloys", J. Chem. Phys. 157 (2022) 014506. DOI:10.1063/5.0097023

80. Thomas Breunung, Florian Kogelbauer, and George Haller, "The deterministic core of stochastically perturbed nonlinear mechanical systems", PROCEEDINGS OF THE ROYAL SOCIETY A -MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES 478 (2022) 2262. DOI:10.1098/rspa.2021.093

81. Sakura Takada, Natsuhiko Yoshinaga, Nobuhide Doi, and Kei Fujiwara, "Mode selection mechanism in traveling and standing waves revealed by Min wave reconstituted in artificial cells", Science Advances 8 (2022) 8460. DOI:10.1126/sciadv.abm8460

82. Sau Katrik, and Ikeshoji Tamio, "Ring mechanism of fast Na+ ion transport in Na₂LiFeTe_O6: Insight from molecular dynamics simulation", Phys. Rev. Materials 6 (2022) 045406. DOI:10.1103/PhysRevMaterials.6.045406

83. M.I. Ojovan, and D.V. Louzguine-Luzgin, "On Structural Rearrangements during the Vitrification of Molten Copper", Materials 15 (2022) 1313. DOI:10.3390/ma15041313

84. Dmitri V. Louzguine-Luzgin, and Jing Jiang, "Low-temperature relaxation behavior of a bulk metallic glass leading to improvement of both strength and plasticity", Materials Science and Engineering: A 839 (2022) 142841. DOI:10.1016/j.msea.2022.142841

85. Yu.P. Ivanov, V.O. Semin, Z. Lu, J. Jiang, A.L. Greer, and D.V. Louzguine-Luzgin, "Long-range-diffusion-assisted but interface-controlled crystallization of a Mg-Ni-Mm glass below its glass-transition temperature", Journal of Alloys and Compounds 909 (2022) 164732. DOI:10.1016/j.jallcom.2022.164732

86. V. Semin, J. Jiang, V.I. Polkin, and D.V. Louzguine-Luzgin, "Structure Evolution and Residual Elastic Stressesin a Ti-Ni-Cu-Co Glassy/Crystalline Phase Alloy", JOM 74 (2022) 1200–1209. DOI:10.1007/s11837-021-05106-x

87. Jun Kawaji, Atsushi Unemoto, Eiji Seki, Motoyuki Hirooka, Tamio Ikeshoji, Kazuhide Ueno, Kaoru Dokko, Masayoshi Watanabe, and Takefumi Okumura, "Local Lithium-Ion Transport of a Ternary Sulfolane-Lithium Bis(trifluoromethanesulfonyl)amide-Carbonate Electrolyte: Experimental and First-Principles Molecular Dynamics Analysis toward Quasi-Solid-State Lithium-Ion Battery", Journal of The Electrochemical Society 169 (2022) 02053. DOI:10.1149/1945-7111/ac5065

88. Uyen Tu Lieu, and Natsuhiko Yoshinaga, "Inverse design of two-dimensional structure by self-assembly of patchy particles", J. Chem. Phys. 156 (2022) 054901. DOI:10.1063/5.0072234, (arxiv.org/abs/2109.10102v1)

89. Jun Haruyama, Shigeharu Takagi, Keiji Shimoda, Iwao Watanabe, Keitaro Sodeyama, Tamio Ikeshoji, and Minoru Otani, "Thermodynamic Analysis of Li-Intercalated Graphite by First-Principles Calculations with Vibrational and Configurational Contributions", J. Phys. Chem. C 125 (51) (2021) 27891–27900. DOI:10.1021/acs.jpcc.1c08992

90. 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, and Takatoshi Yamada, "Growth of MoS₂-Nb-doped MoS₂ lateral homojunctions: a monolayer p-n diode by substitutional dopin", APL Materials 9 (2021) 121115. DOI:10.1063/5.0070333

91. G.-H.Zhao, X.Z. Liang, X. Xu, M.B. Gamza, H. Mao, D.V. Louzguine-Luzgin, and P.E.J. Rivera-Diaz-del-Castillo, "Alloy design by tailoring phase stability in commercial Ti alloys", Materials Science and Engineering: A 815 (2021) 141229. DOI:10.1016/j.msea.2021.141229

92. A.V. Mikhaylovskaya, A.O. Mosleh, P. Mestre-RINN, A.D. Kotov, M.N. Sitkina, A.I. Bazlov, and D.V. Louzguine-Luzgin, "High-Strength Titanium-Based Alloy for Low-Temperature Superplastic Forming", Metallurgical and Materials Transactions A Physical Metallurgy and Materials Science 52 (2021) 293-302. DOI:10.1007/s11661-020-06058-8

93. Yuki Norizoe, Toshihiro Kawakatsu, and Hiroshi Morita, "Molecular-shape- and size-independent power-law dependence of percolation thresholds on radius of gyration in ideal molecular systems", EPL, 133 (3) (2021) 36003. DOI:10.1209/0295-5075/133/36003, (arXiv:2005.12705v3)

94. Yoshinori Tomiyoshi, Toshihiro Kawakatsu,Takeshi Aoyagi, and Hiroshi Morita, "Rheological Properties of Lamellae-Forming Diblock Copolymers", Advanced Theory and Simulations (2021) 2100097. DOI:10.1002/adts.202100097

95. Tomohiro Miyata, Tomohiko Nagao, Daisuke Watanabe, Akemi Kumagai, Keizo Akutagawa, Hiroshi Morita, and Hiroshi Jinnai, "Nanoscale Stress Distribution in Silica-Nanoparticle-Filled Rubber as Observed by Transmission Electron Microscopy: Implications for Tire Application", ACS Appl. Nano Mater. 4 (5) (2021) 4452-4461. DOI:10.1021/acsanm.1c00009

96. A.I. Bazlov, M.S. Parkhomenko, E.V. Ubyivovk, E.N. Zanaeva, D.V. Gunderov, and D.V. Louzguine-Luzgin, "Evolution of the Zr_42.5Сu_42.5Al₁₀Fe₅ amorphous alloy structure during the HPT process", Journal of Non-Crystalline Solids 576 (2022) 121220. DOI:10.1016/j.jnoncrysol.2021.121220

97. Arseniy D. Berezner, Victor A. Fedorov, Mikhail Yu. Zadorozhnyy, Igor S. Golovin, and Dmitri V. Louzguine-Luzgin, "Deformation of Al₈₅Y₈Ni₅Co₂ Metallic Glasses under Cyclic Mechanical Road and Uniform Heating", Metals 11 (6) (2021) 908. DOI:10.3390/met11060908

98. A.I. Bazlov, M.S. Parkhomenko, N.Yu. Tabachkova, A.G. Igrevskaya, E.N. Zanaeva, O.I. Mamzurina, S.V. Medvedeva, T.A. Bazlova, and D.V. Louzguine-Luzgin, "Formation of a phase separated structure in the Zr-Cu-Fe-Al alloys by thermo-mechanical processing", Intermetallics 135 (2021) 107224. DOI:10.1016/j.intermet.2021.107224

99. Tomoe Yayama, Anh Khoa Augustin Lu, Tetsuya Morishita, and Takeshi Nakanishi, "First-principles study of two-dimensional gallium-nitrides on van der Waals epitaxial substrate", Applied Physics Letters 119 (2021) 203101. DOI:10.1063/5.0068939

100. Shinji Kohara, Motoki Shiga, Yohei Onodera, Hirokazu Masai, Akihiko Hirata, Motohiko Murakami, Tetsuya Morishita, Koji Kimura, and Kouichi Hayashi "Relationship between diffraction peak, network topology, and amorphous-forming ability in silicon and silica", Scientific Reports 11 (2021) 22180. DOI:10.1038/s41598-021-00965-5

101. Biswajit Basu, and Florian Kogelbauer, "Global bifurcation of irrotational water waves using a flow force formulation", Journal of Differential Equations 301 (2021) 73-96. DOI:10.1016/j.jde.2021.07.042

102. Kengo Nishio, and Anh Khoa Augustin Lu, "Can every substance exist as an amorphous solid?", J. Non-Cryst. Solids 576 (2021) 121254. DOI:10.1016/j.jnoncrysol.2021.121254

103. Tetsuya Morishita, "Time-dependent principal component analysis: A unified approach to high-dimensional data reduction using adiabatic dynamics", J. Chem. Phys. 155 (2021) 134114. DOI:10.1063/5.0061874, (Editor’s Pick選出)

104. Shun Imamura, and Toshihiro Kawakatsu, "Modeling of chemically active particles at an air-liquid interface", Eur. Phys. J. E 44 (2021) 127. DOI:10.1140/epje/s10189-021-00132-8,(arXiv:2103.09483)

105. Yuki Nagasato, Yositake Takane, Yukinori Yoshimura, Shin Hayashi, and Takeshi Nakanishi, "Gapless States Localized along a Staircase Edge in Second-Order Topological Insulators", J. Phys. Soc. Jpn. 90 (2021) 104703. DOI:10.7566/JPSJ.90.104703

106. Norihiro Oyama, Hideyuki Mizuno, and Atsushi Ikeda, "Instantaneous Normal Modes Reveal Structural Signatures for the Herschel-Bulkley Rheology in Sheared Glasses", Phys. Rev. Lett. 127 (2021) 108003. DOI:10.1103/PhysRevLett.127.108003, プレスリリース (東大）

107. Anri Watanabe, Satoru Tokuda, Yuko Mizuta, Shintaro Miyamoto, Takeshi Nakanishi, Hiromitsu Furukawa, and Hiroshi Minagawa, "Toward automated non-destructive diagnosis of chloride attack on concrete structures by near infrared spectroscopy", Construction and Building Materials 305 (25) (2021) 124796. DOI:10.1016/j.conbuildmat.2021.124796

108. Titus Masese, Yoshinobu Miyazaki, Josef Rizell, Godwill Kanyolo, Chih-Yao Chen, Hiroki Ubukata, Keigo Kubota, Kartik Sau, Tamio Ikeshoji, Zhen-Dong Huang, Kazuki Yoshii, Teruo Takahashi, Miyu Ito, Hiroshi Senoh, Jinkwang Hwang, Abbas Alshehabi, Kazuhiko Matsumoto, Toshiyuki Matsunaga, Kotaro Fujii, Masatomo Yashima, Masahiro Shikano, Cedric Tassel, Hiroshi Kageyama, Yoshiharu Uchimoto, Rika Hagiwara, and Tomohiro Saito, "Mixed alkali-ion transport and storage in atomic-disordered honeycomb layered NaKNi₂TeO₆", Nature Communications 12 (2021) 4660. DOI:10.1038/s41467-021-24694-5

109. Norihiro Oyama, Takeshi Kawasaki, and Kuniyasu Saitoh, "Dynamic Susceptibilities in Dense Soft Athermal Spheres Under a Finite-Rate Shear", Front. Phys. 9 (2021) 667103. DOI:10.3389/fphy.2021.667103,(arXiv:2102.05416)

110. Norihiro Oyama, Hideyuki Mizuno, and Atsushi Ikeda, "Unified View of Avalanche Criticality in Sheared Glasses", Phys. Rev. E 104 (2021) 015002. DOI:10.1103/PhysRevE.104.015002, (arXiv:2009.02635)

111. Satoru Tokuda, Seigo Souma, Kouji Segawa, Takashi Takahashi, Yoichi Ando, Takeshi Nakanishi, and Takafumi Sato, "Unveiling quasiparticle dynamics of topological insulators through Bayesian modelling", Communications Physics 4 (2021) 170. DOI:10.1038/s42005-021-00673-6, プレスリリース

112. Florian Kogelbauer, and Thomas Breunung, "When does the method of harmonic balance give a correct prediction for mechanical systems?", Applicable Analysis (2021) 1-19. DOI:10.1080/00036811.2021.1953482

113. D.V. Louzguine-Luzgin, A. S.Trifonov, Yu. P. Ivanov, Anh Khoa Augustin Lu, A.V. Lubenchenko, and A. L. Greer, "Shear-induced chemical segregation in a Fe-based bulk metallic glass at room temperature", Scientific Reports 11 (2021) 13650. DOI:10.1038/s41598-021-92907-4

114. Kartik Sau, Tamio Ikeshoji, Shigeyuki Takagi, Shin-ichi Orimo, Daniel Errandonea, Dewei Chu, and Claudio Cazorla, "Colossal barocaloric effects in the complex hydride Li₂B₁₂H₁₂", Scientific Reports 11 (2021) 11915. DOI:10.1038/s41598-021-91123-4

115. Akihiko Hirata, "Local structure analysis of amorphous materials by angstrom-beam electron diffraction", Microscopy 70 (2021) 171-177. DOI:10.1093/jmicro/dfaa075

116. Salmon, P. S., Onodera, Y., Kohara, S., Hirata, A., Nishiyama, N., Kitani, S., Zeidler, A., Shiga, M., Masuno, A., Inoue, H., Tahara, S., Polidori, A., Fischer, H., Mori, T., Kojima, S., Kawaji, H., Kolesnikov, A. I., Stone, M. B., Tucker, M. G., McDonnell, M. T., Hannon, A. C., Hiraoka, Y., Obayashi, I., Nakamura, T., Akola, J., Fujii, Y., Ohara, K., Taniguchi, T.,and Sakata, O, "Structure and properties of densified silica glass: Characterizing the order within disorder", NPG Asia Materials 12 (2020) 85. DOI:10.1038/s41427-020-00262-z

117. Viktor Semin, J. Jiang, V. I. Polkin, M. Saito, Y. Ikuhara, D. V. Louzguine-Luzgin, "Crystallization of Ti-Ni-Cu-(Cr, Fe, Mn) metallic glasses", Journal of Alloys and Compounds 876 (25) (2021) 160185. DOI:10.1016/j.jallcom.2021.160185

118. Kartik Sau, Tamio Ikeshoji, Sangryun Kim, Shigeyuki Takagi, and Shin-ichi Orimo, "Comparative Molecular Dynamics Study of the Roles of Anion-Cation and Cation-Cation Correlation in Cation Diffusion in Li₂B₁₂H₁₂ and LiCB₁₁H₁₂", Chemistry of Materials 33 (7) (2021) 2357-2369. DOI:10.1021/acs.chemmater.0c04473

119. Zhen Lu, Fan Zhang, Daixiu We, Jiuhui Han, Yanjie Xia, Jing Jiang, Mingwang Zhong, Akihiko Hirata, Kentaro Watanabe, Alain Karmad, Jonah Erlebachere, and Mingwei Chen, "Vapor Phase Dealloying Kinetics of MnZn Alloys", Acta Materialia 212 (2021) 116916. DOI:10.1016/j.actamat.2021.116916

120. Vladislav Zadorozhnyy, Margarita Churyukanova, Andrey Stepashkin, Mikhail Zadorozhnyy, Adit Sharma, Dmitry Moskovskikh, Junqiang Wang, Elena Shabanova, Sergey Ketov, Dmitry Louzguine-Luzgin, and Sergey Kaloshkin, “Structure and Thermal Properties of an Al-Based Metallic Glass-Polymer Composite", Metals 8 (12) (2018) 1037. DOI:10.3390/met8121037

121. Sakti Pada Shit, Sudipta Pal, N.K. Ghosh, and Kartik Sau, "Thermophysical properties of graphene and hexagonal boron nitride nanofluids: A comparative study by molecular dynamics", Journal of Molecular Structure (2021) 130525. DOI:101.016/j.molstruc.2021.130525

122. Blake Barker, Rafael Monteiro, and Kevin Zumbrun, "Transverse bifurcation of viscous slow MHD shocks", Physica D. (2021) 132857. DOI:10.1016/j.physd.2021.132857, (arXiv:1901.09153)

123. A.S. Trifonov, A.V.Lubenchenko, D.V. Louzguine-Luzgin, "Cryogenic cycling-induced changes in a Fe-based bulk metallic glass on the nanoscale surface layer", Materials Letters 285 (2021) 129114. DOI:10.1016/j.matlet.2020.129114

124. Akihiko Hirata, Tomohide Wada, Ippei Obayashi and Yasuaki Hiraoka, "Structural changes during glass formation extracted by computational homology with machine learning", Communications Materials 1 (2020) 98. DOI:10.1038/s43246-020-00100-3

125. Anh Khoa Augustin Lu, Kengo Nishio, Tetsuya Morishita, Koji Ohara, Zhen Lu, and Akihiko Hirata, "Frank-Kasper Z16 local structures in Cu-Zr metallic glasses", Phys. Rev. B 102 (2020) 184201. DOI:10.1103/PhysRevB.102.184201

126. A.I. Bazlov, A.G. Igrevskaya, N. Yu Tabachkova, C. Chen, V.V. Cheverikin, A.V. Pozdniakov, J. Jiang, and D.V. Louzguine-Luzgin, "Thermo-mechanical processing of a Zr_62.5Cu_22.5Fe₅Al₁₀ glassy alloy as a way to obtain tensile ductility", Journal of Alloys and Compounds 853 (2021) 157138. DOI:10.1016/j.jallcom.2020.157138

127. Dmitri V. Louzguine-Luzgin and Andrey I. Bazlov, "Crystallization of FCC and BCC liquid metals studied by molecular dynamics simulation", Metals 10 (11) (2020) 1532. DOI:10.3390/met10111532

128. J. Jiang, V.V. Khovaylo, and D.V.Louzguine-Luzgin, "A Cu-Y-Al glassy alloy with strong beta relaxation and low activation energies for structural relaxation and crystallization", Thermochimica Acta 693 (2020) 178762. DOI:10.1016/j.tca.2020.178762

129. Andrey A. Tsarkov, Vladislav Yu. Zadorozhnyy, Alexey N. Solonin, and Dmitri V. Louzguine-Luzgin, "Effect of aluminum, iron and chromium alloying on the structure and mechanical properties of (Ti-Ni)-(Cu-Zr) crystalline/amorphous composite materials", Metals 10 (7) (2020) 874. DOI:10.3390/met10070874

130. Adit Sharma, Alexey Kopylov, Mikhail Zadorozhnyy, Andrei Stepashkin, Vera Kudelkina, Jun-Qiang Wang, Sergey Ketov, Margarita Churyukanova, Dmitri Louzguine-Luzgin, Baran Sarac, Jurgen Eckert, Sergey Kaloshkin, Vladislav Zadorozhnyy, and Hidemi Kato, "Mg-based metallic glass-polymer composites: investigation of structure, thermal properties, and biocompatibility", Metals 10 (7) (2020) 867. DOI:10.3390/met10070867

131. A.I. Bazlov, M.S. Parhomenko, O.I. Mamzurina, D.Yu. Karpenkov, I. Serhiienko, A. S Prosviryakov, E. N Zanaeva, and D.V. Louzguine-Luzgin, "Effect of manganese addition on thermal and electrical properties of Zr₄₅Cu₄₅Al₁₀ metallic glass", Journal of Non-Crystalline Solids 542 (2020) 120103. DOI:10.1016/j.jnoncrysol.2020.120103

132. Michael I. Ojovan and Dmitri V. Louzguine-Luzgin, "Revealing structural changes at glass transition via radial distribution functions", Journal of Physical Chemistry B 124 (15) (2020) 3186-3194. DOI:10.1021/acs.jpcb.0c00214

133. D.V. Louzguine-Luzgin, K. Georgarakis, J. Andrieux, L. Hennet, T. Morishita, K. Nishio, and R.V. Belosludov, "An atomistic study of the structural changes in a Zr-Cu-Ni-Al glass-forming liquid on vitrification monitored in-situ by X-ray diffraction and molecular dynamics simulation", Intermetallics 122 (2020) 106795. DOI:10.1016/j.intermet.2020.106795

134. V. Zhukova, M. Ipatov, P. Corte-Leon, J.M. Blanco, E. Zanaeva, A.I. Bazlov, J. Jiang, D.V. Louzguine-Luzgin, J. Olivera, and A. Zhukov, "Excellent magnetic properties of (Fe_0.7Co_0.3)_83.7Si₄B₈P_3.6Cu_0.7 ribbons and microwires", Intermetallics 117 (2020) 106660. DOI:10.1016/j.intermet.2019.106660

135. Z. Wang, M.S. Xie, W.W. Zhang, C. Yang, G.Q. Xie, and D.V. Louzguine-Luzgin, "Achieving super-high strength in an aluminum based composite by reinforcing metallic glassy flakes", Materials Letters 262 (2020) 127059. DOI:10.1016/j.matlet.2019.127059

136. Vladislav Zadorozhnyy, Sergey V. Ketov, Takeshi Wada, Stefan Wurster, Vignesh Nayak, Dmitri V. Louzguine-Luzgin, Jurgen Eckert, and Hidemi Kato, "Novel α + β type Ti-Fe-Cu alloys containing Sn with pertinent mechanical properties", Metals 10 (1) (2020) 34. DOI:10.3390/met10010034

137. R.V. Belosludov, A.I. Oreshkin, S.I. Oreshkin, D.A. Muzychenko, H. Kato, D.V. Louzguine-Luzgin, "The atomic structure of a bulk metallic glass resolved by scanning tunneling microscopy and ab-initio molecular dynamics simulation", Journal of Alloys and Compounds 816 (2020) 152680. DOI:10.1016/j.jallcom.2019.152680

138. Hiroshi Morita, Ayano Miyamoto, and Motoko Kotani, "Recoverably and destructively deformed domain structures in elongation process of thermoplastic elastomer analyzed by graph theory", Polymer 188 (2020) 122098. DOI:10.1016/j.polymer.2019.122098

139. Edgar Avalos, Kazuto Akagi, and Yasumasa Nishiura, "Visible fingerprint of X-ray images of epoxy resins using singular value decomposition of deep learning features", Computational Materials Science 186 (2021) 109996. DOI:10.1016/j.commatsci.2020.109996

140. Edgar Avalos, Shuangquan Xie, Kazuto Akagi, and Yasumasa Nishiura, "Bridging a mesoscopic inhomogeneity to macroscopic performance of amorphous materials in the framework of the phase field modeling", Physica D: Nonlinear Phenomena 409 (2020) 132470. DOI:10.1016/j.physd.2020.132470

141. Fabio Landuzzi, Takenobu Nakamura, Davide Michieletto, and Takahiro Sakaue, "Persistence homology of entangled rings", Phys. Rev. Research 2 (2020) 033529. DOI:10.1103/PhysRevResearch.2.033529, (arXiv:2008.13330)

142. Mikito Koshino, and Nguyen N. T. Nam, "Effective continuum model for relaxed twisted bilayer graphene and moire electron-phonon interaction", Phys. Rev. B 101 (19) (2020) 195425. DOI:10.1103/PhysRevB.101.195425,(arXiv:1909.10786)

143. Jun Haruyama, Ken-ichi Okazaki, Yoshiyuki Morita, Hirofumi Nakamoto, Eiichiro Matsubara, Tamio Ikeshoji, and Minoru Otani, "Two-Phase Reaction Mechanism for Fluorination and Defluorination in Fluoride-Shuttle Batteries: A First-Principles Study", ACS Appl. Mater. Interfaces 12 (1) (2020) 428-435. DOI:10.1021/acsami.9b13978

144. J. Shen, Z. Lu, J. Q. Wang, S. Lan, F. Zhang, A. Hirata, M. W. Chen, X. L. Wang, P. Wen, Y. H. Sun, H. Y. Bai, and W. H. Wang, "Metallic Glacial Glass Formation by a First-Order Liquid-Liquid Transition", J. Phys. Chem. Lett. 11 (16) (2020) 6737-6741. DOI:10.1021/acs.jpclett.0c01789

145. Fan Zhang, Yu Ren, Zhiqing Yang, Huhu Su, Zhen Lu, Chengwen Tan, Hailong Peng, Kentaro Watanabe, Bin Li, Matthew R. Barnetth, and Mingwei Chen, "The interaction of deformation twins with long-period stacking ordered precipitates in a magnesium alloy subjected to shock loading", Acta Materialia 188 (2020) 203-214. DOI:10.1016/j.actamat.2020.01.064

146. Shunshi Kohyama, Kei Fujiwara, Natsuhiko Yoshinaga, and Nobuhide Doi, "Conformational equilibrium of MinE regulates the allowable concentration ranges of a protein wave for cell division", Nanoscale 12 (2020) 11960-11970. DOI:10.1039/d0nr00242a

147. Uyen Tu Lieu, and Natsuhiko Yoshinaga, "Topological defects of dipole patchy particles on a spherical surface", Soft Matter 16 (2020) 7667-7675. DOI:10.1039/D0SM00103A, (arXiv:2002.01161), (裏表紙)

148. Kartik Sau, and Tamio Ikeshoji, "Origin of Fast Ion Conduction in Na₃PS₄: Insight from Molecular Dynamics Study", Journal of Physical Chemistry C 124 (2020) 20671-20681. DOI:10.1021/acs.jpcc.0c04476

149. Kengo Nishio, and Takehide Miyazaki, "Notation for chemical arrangements in alloys", Phys. Rev. Research 2 (2020) 023193. DOI:10.1103/PhysRevResearch.2.023193

150. Anh Khoa Augustin Lu, Tomoe Yayama, Tetsuya Morishita, and Takeshi Nakanishi, "On Hydrogenated Bilayer GaN: New Stable Structures along the c-Plane, m-Plane, or a-Plane", J. Phys. Chem. C 124 (31) (2020) 16888-16894. DOI:10.1021/acs.jpcc.0c01709

151. Toru Kajigaya,"On Hamiltonian stable Lagrangian tori in complex hyperbolic spaces", J. Math. Soc. Japan 72 (2) (2020) 435-463. DOI:10.2969/jmsj/81158115, (arXiv:1808.07745)

152. Kartik Sau, Tamio Ikeshoji, and Supriya Roy, "Role of divalent cation (Ba) substitution in the Li⁺ ion conductor LiTi₂(PO₄)₃: a molecular dynamics study, Phys. Chem. Chem. Phys 22 (2020) 14471-14479. DOI:10.1039/D0CP01053G

153. Tadahisa Funaki, Yueyuan Gao, and Danielle Hilhorst, "Existence and uniqueness of the entropy solution of a stochastic conservation law with a Q‐Brownian motion", Math Meth Appl Sci. 43 (9) (2020) 5860-5886. DOI:10.1002/mma.6329, (HAL-02159743)

154. Akira Kamimaki, Satoshi Iihama, Kazuya Suzuki, Natsuhiko Yoshinaga, and Shigemi Mizukami, "Parametric amplification of magnons in synthetic antiferromagnets", Physical Review Applied 13 (2020) 044036. DOI:10.1103/PhysRevApplied.13.044036, プレスリリース

155. Shunshi Kohyama, Kei Fujiwara, Natsuhiko Yoshinaga, and Nobuhide Doi, "Self-organization Assay for Min Proteins of Escherichia coli in Micro-droplets Covered with Lipids", Bio-protocol 10 (6) (2020) e3561. DOI:10.21769/BioProtoc.3561

156. Bonnie Tsim, Nguyen N. T. Nam, and Mikito Koshino "Perfect one-dimensional chiral states in biased twisted bilayer graphene", Phys. Rev. B 101 (12) (2020) 125409. DOI:10.1103/PhysRevB.101.125409, (arxiv.org/abs/2001.06257)

157. Rafael Monteiro, Itsuki Miyazato, and Keisuke Takahashi, "Rising Sun Envelope Method: An Automatic and Accurate Peak Location Technique for XANES Measurements", J. Phys. Chem. A 124 (2020) 1754-1762. DOI:10.1021/acs.jpca.9b11712

158. Krishnanjan Pramanik, Kartik Sau, and Padma Kumar, "Role of Framework Flexibility in Ion Transport: A Molecular Dynamics Study of LiM₂^IV(PO₄)₃", J. Phys. Chem. C 124 (2020) 4001-4009. DOI:10.1021/acs.jpcc.9b11624

159. Norihiro Oyama, Takeshi Kawasaki, Hideyuki Mizuno, and Atsushi Ikeda, "Glassy dynamics of a model of bacterial cytoplasm with metabolic activities", Phys. Rev. Research 1 (2019) 032038(R). DOI:10.1103/PhysRevResearch.1.032038, (arXiv:1904.09052)

160. Shin Hayashi, "Toeplitz operators on concave corners and topologically protected corner states", Letters in Mathematical Physics 109 (2019) 2223-2254. DOI:10.1007/s11005-019-01184-w, (arXiv:1902.01533)

161. Ryo Okugawa, Shin Hayashi, and Takeshi Nakanishi, "Second-order topological phases protected by chiral symmetry", Phys. Rev. B 100 (2019) 235302. DOI:10.1103/PhysRevB.100.235302, (arXiv:1907.01153)

162. Yohei Onodera, Shinji Kohara, Shuta Tahara, Atsunobu Masuno, Hiroyuki Inoue, Motoki Shiga, Akihiko Hirata, Koichi Tsuchiya, Yasuaki Hiraoka, Ippei Obayashi, Koji Ohara, Akitoshi Mizuno, and Osami Sakata, "Understanding diffraction patterns of glassy, liquid and amorphous materials via persistent homology analyses", Journal of the Ceramic Society of Japan 127 (12) (2019) 853-863. DOI:10.2109/jcersj2.19143

163. Yuan Tian, Wei Jiao, Pan Liu, Shuangxi Song, Zhen Lu, Akihiko Hirata, and Mingwei Chen, "Fast coalescence of metallic glass nanoparticles", Nature Communications 10 (2019) 5249. DOI:10.1038/s41467-019-13054-z

164. V.S. Zolotorevsky, A.I. Bazlov, A.G. Igrevskaya, A.S. Aronin, G.E. Abrosimova, and Dmitri.V. Louzguine-Luzgin, "Significant Mechanical Softening of an Al-Y-Ni-Co Metallic Glass on Cold and Hot Rolling", The Journal of The Minerals, Metals & Materials Society (TMS) 71 (2019) 4079-4085. DOI:10.1007/s11837-019-03430-x

165. A. Yu. Churyumov, A. V. Pozdniakov, A. I. Bazlov, H. Mao, V. I. Polkin, and Dmitri.V. Louzguine-Luzgin, "Effect of Nb Addition on Microstructure and Thermal and Mechanical Properties of Fe-Co-Ni-Cu-Cr Multiprincipal-Element (High-Entropy) Alloys in As-Cast and Heat-Treated State", The Journal of The Minerals, Metals & Materials Society (TMS) 71 (2019) 3481-3489. DOI:10.1007/s11837-019-03644-z

166. Dmitri V. Louzguine-Luzgin, and Jing Jiang, "On Long-Term Stability of Metallic Glasses", Metals 9 (10) (2019) 1076. DOI:10.3390/met9101076

167. Natsuhiko Yoshinaga, "Self-propulsion of an active polar drop", Journal of Chemical Physics 150 (2019) 184904. DOI:10.1063/1.5090790

168. A.M. Glezer, D.V. Louzguine-Luzgin, I.A. Khriplivets, R.V. Sundeev, D.V. Gunderov, A.I. Bazlov, and Yu.S. Pogozhev, "Effect of high-pressure torsion on the tendency to plastic flow in bulk amorphous alloys based on Zr", Materials Letters 256 (2019) 126631. DOI:10.1016/j.matlet.2019.126631

169. Tatsuhiko Shirai, and Takenobu Nakamura, "Microscopic Description of Yielding in Glass Based on Persistent Homology", J. Phys. Soc. Jpn. 88 (2019) 074801. DOI:10.7566/JPSJ.88.074801

170. Dmitri Louzguine-Luzgin, Masamichi Miyama, Kengo Nishio, Andrey A Tsarkov, and A. Greer, "Vitrification and nanocrystallization of pure liquid Ni studied using molecular-dynamics simulation", Journal of Chemical Physics 151 (2019) 124502. DOI:10.1063/1.5119307

171. Toru Kajigaya, and Keita Kunikawa, "A convergence of generalized Lagrangian mean curvature flow in Kahler manifold of positive weighted Ricci form", Advanced Studies in Pure Mathematics 85 (2020) 205-214. DOI:10.2969/aspm/08510205

172. Tetsuya Morishita, and Atsushi M. Ito, "Travelling without Dwelling: Extending the Time Scale Accessible to Molecular Dynamics Simulation", Phys. Rev. Research 1 (2019) 033032. DOI:10.1103/PhysRevResearch.1.033032

173. Kei-Ichi Ueda, Keiichi Kitajo, Yoko Yamaguchi, and Yasumasa Nishiura, "Neural network model for path-finding problems with the self-recovery property", Phys. Rev. E 99 (2019) 032207. DOI:10.1103/PhysRevE.99.032207

174. Yutaro Hirai, Edgar Avalos, Takashi Teramoto, Yasumasa Nishiura, and Hiroshi Yabu, "Ashura Particles: Experimental and Theoretical Approaches for Creating Phase-Separated Structures of Ternary Blended Polymers in Three-Dimensionally Confined Spaces", ACS Omega (2019) 13106-13113. DOI:10.1021/acsomega.9b00991

175. Kengo Nishio, Augustin Lu, and Takehide Miyazaki, "Universal short-range order and material dependent glass-forming ability of metallic liquids and glasses", Phys. Rev. Research 1 (2019) 012013(R). DOI:10.1103/PhysRevResearch.1.012013

176. Michel Houssa, Konstantina Iordanidou, Ashish Dabral, Augustin Lu, Rui Meng, Geoffrey Pourtois, Valeri Afanasiev, and Andre Stesmans, "Contact Resistance at graphene/MoS₂ lateral heterojunctions", Appl. Phys. Lett. 114 (2019) 163101. DOI:10.1063/1.5083133

177. Shunshi Kohyama, Natsuhiko Yoshinaga, Miho Yanagisawa, Kei Fujiwara, and Nobuhide Doi, "Cell-sized confinement controls generation and stability of a protein wave for spatiotemporal regulation in cells", eLife 8 (2019) e44591. DOI:10.7554/eLife.44591.001 ,プレスリリース

178. Rafael Monteiro, and Natsuhiko Yoshinaga, "The Swift-Hohenberg Equation under Directional-Quenching: Finding Heteroclinic Connections Using Spatial and Spectral Decompositions", Archive for Rational Mechanics and Analysis (2019) 1-66. DOI:10.1007/s00205-019-01427-z, (arXiv:1811.11890)

179. Kartik Sau, Tamio Ikeshoji, Sangryun Kim, Shigeyuki Takagi, Kazuto Akagi, and Shin-ichi Orimo, "Reorientational motion and Li⁺-ion transport in Li₂B₁₂H₁₂system: Molecular dynamics study", Phys. Rev. Materials 3 (2019) 075402. DOI:10.1103/PhysRevMaterials.3.075402

180. A.S. Trifonov, A.V. Lubenchenko, S.V. Ketov, S.V. Taskaev, and Dmitri V.Louzguine-Luzgin, "Novel electrical transport properties of native Fe-Nb oxide layers leading to unilateral conductivity of a refractory metallic glass", Heliyon 5 (2019) e01424. DOI:10.1016/j.heliyon.2019.e01424

181. Dmitri V. Louzguine-Luzgin, J. Jiang, A.I. Bazlov, V.S. Zolotorevzky, H. Mao, Yu P. Ivanov, and A.L Greer, "Phase separation process preventing thermal embrittlement of a Zr-Cu-Fe-Al bulk metallic glass", Scripta Materialia 167 (2019) 31-36. DOI:10.1016/j.scriptamat.2019.03.030

182. Ruslan A.Sergiienko, Oleksandr A.Shcheretskyi, Vladislav Yu. Zadorozhnyy, Anatolii M.Verkhovliuk and Dmitri V.Louzguine-Luzgin, "Investigation of Zr₅₅Cu₃₀Al₁₀Ni₅ bulk amorphous alloy crystallization", Journal of Alloys and Compounds 791 (2019) 477-482. DOI:10.1016/j.jallcom.2019.03.270

183. S.V. Ketov, Yu. P. Ivanov, D. Sopu, Dmitri.V. Louzguine-Luzgin, C. Suryanarayana, A. O. Rodin, T. Schober, A.L. Greer, and J. Eckert, "High-resolution transmission electron microscopy investigation of diffusion in metallic glass multilayer films", Materials Today Advances 1 (2019) 100004. DOI:10.1016/j.mtadv.2019.01.003

184. V. Zadorozhnyy, A. Kopylov, M. Gorshenkov, E. Shabanova M.Zadorozhnyy, A. Novikov, A. Maksimkin, T. Wada, D.V. Louzguine-Luzgin, and H. Kato, "Structure and mechanical properties of Ti-Based alloys containing Ag subjected to a thermomechanical treatment", Journal of Alloys and Compounds 781 (2019) 1182-1188. DOI:10.1016/j.jallcom.2018.12.152

185. Dale A. Osborne, Tetsuya Morishita, Sherif Abdulkader Tawfik, Tomoe Yayama, and Michelle J. S. Spencer, "Adsorption of toxic gases on silicene/Ag(111)", Phys. Chem. Chem. Phys. (2019) . DOI:10.1039/C9CP01901D

186. Patrick D. Taylor, Dale A. Osborne, Sherif Abdulkader Tawfik, Tetsuya Morishita, and Michelle J. S. Spencer, "Tuning the work function of the silicene/4x4 Ag(111) surface", Phys. Chem. Chem. Phys. 21 (2019) 7165-7173. DOI:10.1039/C9CP00424F

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190. Michel Houssa, Konstantina Iordanidou, Ashish Dabral, Anh Khoa Augustin Lu, Geoffrey Pourtois, Valeri Afanasiev, and Andre Stesmans, "Contact Resistance at MoS₂-based 2D Metal/Semiconductor Lateral Heterojunctions", ACS Appl. Nano Mater 2 (2019) 760-766. DOI:10.1021/acsanm.8b01963

191. Kengo Nishio, Anh Khoa Augustin Lu, and Takehide Miyazaki, "Entropy-driven docosahedral short-range order in simple liquids and glasses", Phys. Rev. E 99 (2019) 022121. DOI:10.1103/PhysRevE.99.022121

192. Anh Khoa Augustin Lu, Tomoe Yayama, Tetsuya Morishita, Michelle J. S. Spencer, and Takeshi Nakanishi, "Uncovering new buckled structures of bilayer GaN: a first-principles study", J. Phys. Chem. C 123 (2019) 1939-1947. DOI:10.1021/acs.jpcc.8b09973

193. Ashish Dabral, Anh Khoa Augustin Lu, Daniele Chiappe, Michel Houssa, and Geoffrey Pourtois, "A systematic study of various 2D materials in the light of defect formation and oxidation", Phys. Chem. Chem. Phys. 21 (2019) 1089-1099. DOI:10.1039/C8CP05665J

194. M. Murakami, S. Kohara, N. Kitamura, J. Akola, H. Inoue, A. Hirata, Y. Hiraoka, Y. Onodera, I. Obayashi, J. Kalikka, N. Hirao, T. Musso, A. S. Foster, Y. Idemoto, O. Sakata, and Y. Ohishi, "Ultrahigh-pressure form of SiO₂ glass with dense pyrite-type crystalline homology", Phys. Rev. B 99 (2019) 045153. DOI:10.1103/PhysRevB.99.045153

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199. Yuan-yuan Zhao, Makoto Yamaguchi, Eiji Tsuchida, Yoong-Kee Choe, and Tamio Ikeshoji, "DFT Studies of Perfluorosulfonic Acid Ionomer Degradation in Fuel Cells", The Journal of Physical Chemistry C 122 (2018) 20135-20143. DOI:10.1021/acs.jpcc.8b05908

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201. Jun Haruyama, Tamio Ikeshoji, and Minoru Otani,"Analysis of Lithium Insertion/Desorption Reaction at Interfaces between Graphite Electrodes and Electrolyte Solution Using Density Functional + Implicit Solvation Theory", Journal of Physical Chemistry C 122 (2018) 9804-9810. DOI:10.1021/acs.jpcc.8b01979

202. Tsukuru Ohwaki, Taisuke Ozaki, Yukihiro Okuno, Tamio Ikeshoji, Hideto Imai, and Minoru Otani, "Li deposition and desolvation with electron transfer at a silicon/propylene-carbonate interface: transition-state and free-energy profiles by large-scale first-principles molecular dynamics", Phys. Chem. Chem. Phys. 20 (2018) 11586. DOI:10.1039/C7CP08569A

203. Jiuhui Han, Cheng Li, Zhen Lu, Hao Wang, Zhili Wang, Kentaro Watanabe, and Mingwei Chen, "Vapor phase dealloying: A versatile approach for fabricating 3D porous materials", Acta Materialia 163 (2019) 161-172. DOI:10.1016/j.actamat.2018.10.012

204. Jiuhui Han, Gang Huang, Zhili Wang, Zhen Lu, Jing Du, Hamzeh Kashani, and Mingwei Chen, "Low-Temperature Carbide-Mediated Growth of Bicontinuous Nitrogen-Doped Mesoporous Graphene as an Efficient Oxygen Reduction Electrocatalyst", Advanced Materials 30 (2018) 1803588. DOI:10.1002/adma.201803588

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211. Jiuhui Han, Akihiko Hirata, Jing Du, Yoshikazu Ito, Takeshi Fujita, Shinji Kohara,Toshiaki Ina, and Mingwei Chen, "Intercalation pseudocapacitance of amorphous titanium oxide@nanoporous graphene for high-rate and large-capacity energy storage", Nano Energy 49 (2018) 354-362. DOI:10.1016/j.nanoen.2018.04.063

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216. Akihiko Hirata, "Crystalline Approximant of Amorphous Fe-Si-B Structures", Materials Transactions 59 (2018) 1047-1050. DOI:10.2320/matertrans.MD201711

217. Tadahisa Funaki, Yueyuan Gao, and Danielle Hilhorst, "Convergence of a finite volume scheme for a stochastic conservation law involving a Q-Brownian motion", DCDS-B, AIMS, 23 (2018) 1461-1504. DOI:10.3934/dcdsb.2018159

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220. Hideyuki Nakano, Hiroyuki Tetsuka, Michelle J. S. Spencer, and Tetsuya Morishita, "Chemical modification of group IV graphene analogs", Science and Technology of Advanced Materials 19 (2018) 76-100. DOI:10.1080/14686996.2017.1422224

221. Haruko Saito, Yuko Aoyanagi, Takaaki Mihara,Teruhisa Tanaka, Takeshi Higuchi, Hiroshi Morita, and Hiroshi Jinnai,"Direct three-dimensional imaging of the fracture of fiber-reinforced plastic under uniaxial extension: Effect of adhesion between fibers and matrix", Polymer 116 (2017) 556-564. DOI:10.1016/j.polymer.2017.01.072

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223. Toshiki Nagasaki, Satoru Tokuda, Koji Nemoto, and Masato Okada, "Theoretical Analysis of Bistability in Kuramoto Model with Connectivity-Frequency Correlations", J. Phys. Soc. Jpn. 87 (2017) 014004. DOI:10.7566/JPSJ.87.014004

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解説、総説、著書、その他出版物

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2. 中村壮伸, "トポロジカルデータ解析による物質の記述", 数理科学 2023年6月号 720.

3. Shoichi Takahata, Norihiro Oyama, Kuniyasu Saitoh, "Localized and extended dynamical correlation lengths in jammed packings of soft athermal disks under slow shear", (arXiv:2104.08545)

4. 池庄司民夫, "第15回 燃料電池と計算科学", 燃料電池 春号 Vol.22 No.4 (2023) 47-51.

5. 徳田 悟, 中西 毅, 佐藤 宇史, "ベイズ推定に基づく角度分解光電子スペクトルの網羅的解析", 表面と真空 66巻 3号 (2023) 152-157.DOI:10.1380/vss.66.152

6. 中西 毅, 中村 壮伸, 渡部 愛理, 徳田 悟, "数理を活用した材料開発の加速へ向けた理論研究", 理論化学会誌 フロンティア Vol.4, No.3（2022) 7月号 139.（表紙）

7. 池庄司民夫, "第Ⅰ編 第一原理計算 第6 章 口密度汎関数法＋溶液理論計算を用いたLi イオン電池電極界面での電荷移動過程の解析", AI・MI・計算科学を活用した蓄電池研究開発動向（2021)

8. Yueyuan Gao, Danielle Hilhorst, and Huy Cuong Vu Do, "A generalized finite volume method for density driven flows in porous media", (https://hal.archives-ouvertes.fr/hal-03087936)

9. 渡部 愛理, "高感度近赤外分光を用いたインフラの遠隔劣化診断技術の開発", 光学 第50巻第2号（2021)

10. Ken-Ichiro Imura, Yukinori Yoshimura, Takahiro Fukui, and Yasuhiro Hatsugai, "Bulk-edge correspondence in topological transport and pumping", IOP Conf. Series: Journal of Physics: Conf. Series 969 (2018) 012133. DOI:10.1088/1742-6596/969/1/012133

11. Hiroaki Saito, Tetsuya Morishita, Taku Mizukami, Ken-ichi Nishiyama, Kazutomo Kawaguchi, and Hidemi Nagao, "Molecular dynamics study of binary POPC bilayers: molecular condensing effects on membrane structure and dynamics", Journal of Physics: Conference Series 1136 (2018) 012022. DOI:10.1088/1742-6596/1136/1/012022

12. 義永那津人, "アクティブマター懸濁液の集団運動", 分子シュミレーション研究会会誌 アンサンブル 20 (3) (2018).

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