Publications

  1. "Single crystal growth and physical properties of La, Co doped (Eu,Ca)FeAs2"
    Authors: Sugali Pavan Kumar Naik, Sala Alberto, Kunimitsu Kataoka, Yoshito Gotoh, Tom Ichibha, Kenta Hongo, Ryo Maezono, Taichiro Nishio, Hiraku Ogino
    Journal Info: Journal of Crystal Growth 628 127547:1-127547:5 Feb 15, 2024

  2. "(La,Th)H10: Potential High-Tc (242 K) Superconductors Stabilized Thermodynamically below 200 GPa"
    Authors: Peng Song, Artur P. Durajski, Zhufeng Hou, Abdul Ghaffar, Rohit Dahule, Radosław Szczȩśniak, Kenta Hongo, Ryo Maezono
    Journal Info: Journal of Physical Chemistry C 128(6) 2656-2665 Feb 15, 2024

  3. "Key Role of Metal-to-Metal Charge Transfer Transition between Mo6+ and Bi3+ for Enhancement in NIR Luminescence of Gd2MoO6:Bi,Yb Nanophosphor"
    Authors: Taisei Hangai, Takuya Hasegawa, Jian Xu, Takayuki Nakanishi, Takashi Takeda, Kosuke Nakano, Kenta Hongo, Ryo Maezono, Tomoyo Goto, Yasushi Sato, Ayahisa Okawa, Shu Yin
    Journal Info: The Journal of Physical Chemistry C 128(8) 3351-3360 Feb 15, 2024

  4. "Multiemission of Ce3+ from a Single Crystallographic Site Induced by Disordering of Ions"
    Authors: Takuya Yasunaga, Makoto Kobayashi, Kenji Oqmhula, Huan Qi, Tom Ichibha, Kenta Hongo, Shunsuke Yamamoto, Ryo Maezono, Masaya Mitsuishi, Minoru Osada, Hideki Kato, Masato Kakihana
    Journal Info: Inorganic Chemistry 63(2) 1288-1295 Jan 4, 2024

  5. "Locality error free effective core potentials for 3d transition metal elements developed for the diffusion Monte Carlo method"
    Authors: Tom Ichibha, Yutaka Nikaido, M. Chandler Bennett, Jaron T. Krogel, Kenta Hongo, Ryo Maezono, Fernando A. Reboredo
    Journal Info: The Journal of Chemical Physics 159(16) 164114 Oct 27, 2023

  6. "Stiffer Bonding of Armchair Edge in Single-Layer Molybdenum Disulfide Nanoribbons"
    Authors: Chunmeng Liu, Kenta Hongo, Ryo Maezono, Jiaqi Zhang, Yoshifumi Oshima
    Journal Info: Advanced Science 10(30) 2303477 Oct 26, 2023

  7. "First-Principles Investigation of Stability and Superconductivity in Ternary Yttrium–Praseodymium Hydrides under High Pressure"
    Authors: Ken Sinkou Qin, Peng Song, Kenta Hongo, Ryo Maezono
    Journal Info: The Journal of Physical Chemistry C 127(43) 21242-21249 Oct 18, 2023

  8. "Structure, optical, and electrical properties of layered oxychalcogenide Sr2ZnCu2(S1−x Se x )2O2 (0 ≤ x ≤ 1) compounds"
    Authors: Takahiro Kato, Yuki Iwasa, Sugali Pavan Kumar Naik, Shigeyuki Ishida, Yoichi Higashi, Izumi Hase, Taichiro Nishio, Kenta Hongo, Ryo Maezono, Hiraku Ogino
    Journal Info: Materials Research Express 10(9) 095904 Sep 26, 2023

  9. "Recognition of Spatial Finiteness in Meniscus Splitting Based on Evaporative Interface Fluctuations"
    Authors: Leijie Wu, Isamu Saito, Kenta Hongo, Kosuke Okeyoshi
    Journal Info: Advanced Materials Interfaces 10(34) 2300510-2300510 Sep 19, 2023

  10. "High-pressure phases of BaCN2 explored using a genetic algorithm"
    Authors: Peng Song, Mari Khawaguch, Yuji Masubuchi, Kenji Oqmhula, Kousuke Nakano, Ryo Maezono, Kenta Hongo
    Journal Info: COMPUTATIONAL MATERIALS SCIENCE 226 112202 Jun, 2023

  11. "Biophysical Properties of the Fibril Structure of the Toxic Conformer of Amyloid-β42: Characterization by Atomic Force Microscopy in Liquid and Molecular Docking"
    Authors: Radhika Biyani, Kaito Hirata, Kenji Oqmhula, Ayhan Yurtsever, Kenta Hongo, Ryo Maezono, Masahiro Takagi, Takeshi Fukuma, Manish Biyani
    Journal Info: ACS Applied Materials & Interfaces 15(23) 27789-27800 Jun 1, 2023

  12. "Evolutionary Algorithm Directed Synthesis of Mixed Anion Compounds LaF2X (X = Br, I) and LaFI2."
    Authors: Daichi Kato, Peng Song, Hiroki Ubukata, Haruki Taguro, Cédric Tassel, Kohei Miyazaki, Takeshi Abe, Kousuke Nakano, Kenta Hongo, Ryo Maezono, Hiroshi Kageyama
    Journal Info: Angewandte Chemie 135(30) e202301416 Apr 18, 2023

  13. "Evolutionary Algorithm Directed Synthesis of Mixed Anion Compounds LaF2X (X=Br, I) and LaFI2"
    Authors: Kato, D., Song, P., Ubukata, H., Taguro, H., Tassel, C., Miyazaki, K., Abe, T., Nakano, K., Hongo, K., Maezono, R., Kageyama, H.
    Journal Info: Angewandte Chemie - International Edition 62(30) e202301416 Apr 18, 2023

  14. "Toward Chemical Accuracy Using the Jastrow Correlated Antisymmetrized Geminal Power Ansatz"
    Authors: Abhishek Raghav, Ryo Maezono, Kenta Hongo, Sandro Sorella, Kousuke Nakano
    Journal Info: Journal of Chemical Theory and Computation 19(8) 2222-2229 Apr 4, 2023

  15. "First-Principles-Based Insight into Electrochemical Reactivity in a Cobalt-Carbonate-Hydroxide Pseudocapacitor"
    Authors: Kenji Oqmhula, Takahiro Toma, Ryo Maezono, Kenta Hongo
    Journal Info: ACS Omega 8(7) 6743-6752 Feb 9, 2023

  16. "Mechanistic insights and importance of hydrophobicity in cationic polymers for cancer therapy"
    Authors: Nishant Kumar, Kenji Oqmhula, Kenta Hongo, Kengo Takagi, Shin-ichi Yusa, Robin Rajan, Kazuaki Matsumura
    Journal Info: Journal of Materials Chemistry B 11(7) 1456-1468 Jan 6, 2023

  17. "Order–disorder competition in equiatomic 3d–transition–metal quaternary alloys: phase stability and electronic structure"
    Authors: Hiroshi Mizuseki, Ryoji Sahara, Kenta Hongo
    Journal Info: Science and Technology of Advanced Materials: Methods 3(1) 2153632 Jan 4, 2023

  18. "First principles study on thermal conductivity of nitrogen substituted diamane"
    Authors: Sakarn Khamkaeo, Teerachote Pakornchote, Annop Ektarawong, Thiti Bovornratanaruks, Kenta Hongo
    Journal Info: Journal of Physics: Conference Series 2431(1) 2023

  19. "Feature Space of XRD Patterns Constructed by an Autoencoder"
    Authors: Utimula, K., Yano, M., Kimoto, H., Hongo, K., Nakano, K., Maezono, R.
    Journal Info: Advanced Theory and Simulations 6(2) 2200613-2200613 2023

  20. "Potential high-Tc superconductivity in YCeHx and LaCeHx under pressure"
    Authors: Song, P., Hou, Z., Nakano, K., Hongo, K., Maezono, R.
    Journal Info: Materials Today Physics 28 100873-100873 Nov, 2022

  21. "Ab-initio-based interface modeling and statistical analysis for estimate of the water contact angle on a metallic Cu(111) surface"
    Authors: Murono, T., Hongo, K., Nakano, K., Maezono, R.
    Journal Info: Surfaces and Interfaces 34 102342-102342 Nov, 2022

  22. "Ab initio molecular dynamics simulation of structural and elastic properties of SiO2-P2O5-Al2O3-Na2O glass"
    Authors: Yixiao Qian, Bin Song, Junteng Jin, Genki I. Prayogo, Keishu Utimula, Kousuke Nakano, Ryo Maezono, Kenta Hongo, Gaoling Zhao
    Journal Info: Journal of the American Ceramic Society 105(11) 6604-6615 Nov, 2022

  23. "Electronic structure and effective mass analysis of doped TiO2 (anatase) systems using DFT plus U"
    Authors: Abhishek Raghav, Kenta Hongo, Ryo Maezono, Emila Panda
    Journal Info: COMPUTATIONAL MATERIALS SCIENCE 214 111714 Nov, 2022

  24. "High-pressure behavior of tetragonal barium carbodiimide, BaNCN"
    Authors: Yuji Masubuchi, Suzuka Miyazaki, Peng Song, Takafumi Yamamoto, Kosuke Nakano, Kenta Hongo, Ryo Maezono
    Journal Info: JOURNAL OF ALLOYS AND COMPOUNDS 918 165632 Oct, 2022

  25. "Anionic ordering in Pb2Ti4O9F2 revisited by nuclear magnetic resonance and density functional theory"
    Authors: Kengo Oka, Tom Ichibha, Daichi Kato, Yasuto Noda, Yusuke Tominaga, Kosei Yamada, Mitsunobu Iwasaki, Naoki Noma, Kenta Hongo, Ryo Maezono, Fernando A. Reboredo
    Journal Info: DALTON TRANSACTIONS 51 15361-15369 Sep, 2022

  26. "Shry: Application of Canonical Augmentation to the Atomic Substitution Problem."
    Authors: Genki Imam Prayogo, Andrea Tirelli, Keishu Utimula, Kenta Hongo, Ryo Maezono, Kousuke Nakano
    Journal Info: Journal of chemical information and modeling 62(12) 2909-2915 Jun 9, 2022

  27. "Computational Design to Suppress Thermal Runaway of Li-Ion Batteries via Atomic Substitutions to Cathode Materials"
    Authors: Yuki Yoshimoto, Takahiro Toma, Kenta Hongo, Kousuke Nakano, Ryo Maezono
    Journal Info: ACS Applied Materials & Interfaces 14(20) 23355-23363 May 16, 2022

  28. "Impact of Surface Faceting on Gas Sensing Selectivity of NiO: Revealing the Adsorption Sites of Organic Vapors on the {111} Facet"
    Authors: Angga Hermawan, Adie Tri Hanindriyo, Kenta Hongo, Ryo Maezono, Shu Yin
    Journal Info: The Journal of Physical Chemistry C 126(18) 8037-8046 May 3, 2022

  29. "Making the most of data: Quantum Monte Carlo postanalysis revisited"
    Authors: Tom Ichibha, Verena A. Neufeld, Kenta Hongo, Ryo Maezono, Alex J. W. Thom
    Journal Info: Physical Review E 105(4) 045313 Apr 19, 2022

  30. "Diffusion Monte Carlo Study on Relative Stabilities of Boron Nitride Polymorphs"
    Authors: Yutaka Nikaido, Tom Ichibha, Kenta Hongo, Fernando A. Reboredo, K. C. Hari Kumar, Priya Mahadevan, Ryo Maezono, Kousuke Nakano
    Journal Info: The Journal of Physical Chemistry C 126(13) 6000-6007 Apr 7, 2022

  31. "Stepwise copolymerization of polybenzimidazole for a low dielectric constant and ultrahigh heat resistance"
    Authors: Xianzhu Zhong, Aniruddha Nag, Jiabei Zhou, Kenji Takada, Fitri Adila Amat Yusof, Tetsu Mitsumata, Kenji Oqmhula, Kenta Hongo, Ryo Maezono, Tatsuo Kaneko
    Journal Info: RSC Advances 12(19) 11885-11895 Apr, 2022

  32. "Anomalies in the bulk and surface electronic properties of SnS: effects of native defects"
    Authors: Rohit Dahule, Chetan C. Singh, Kenta Hongo, Ryo Maezono, Emila Panda
    Journal Info: Journal of Materials Chemistry C 10(14) 5514-5525 Feb 28, 2022

  33. "High-Pressure Mg–Sc–H Phase Diagram and Its Superconductivity from First-Principles Calculations"
    Authors: Peng Song, Zhufeng Hou, Pedro Baptista de Castro, Kousuke Nakano, Kenta Hongo, Yoshihiko Takano, Ryo Maezono
    Journal Info: The Journal of Physical Chemistry C 126(5) 2747-2755 Feb 10, 2022

  34. "The Systematic Study on the Stability and Superconductivity of Y‐Mg‐H Compounds under High Pressure"
    Authors: Peng Song, Zhufeng Hou, Pedro Baptista de Castro, Kousuke Nakano, Yoshihiko Takano, Ryo Maezono, Kenta Hongo
    Journal Info: Advanced Theory and Simulations 2100364(3) 2100364-2100364 Jan 18, 2022

  35. "Diffusion Monte Carlo evaluation of disiloxane linearisation barrier"
    Authors: Adie Tri Hanindriyo, Amit Kumar Singh Yadav, Tom Ichibha, Ryo Maezono, Kousuke Nakano, Kenta Hongo
    Journal Info: Physical Chemistry Chemical Physics 24(6) 3761-3769 Jan 11, 2022

  36. "Candidate structure for the H2-PRE phase of solid hydrogen"
    Authors: Tom Ichibha, Yunwei Zhang, Kenta Hongo, Ryo Maezono, Fernando A. Reboredo
    Journal Info: Physical Review B 104(21) Dec 29, 2021

  37. "High-T-c Superconducting Hydrides Formed by LaH24 and YH24 Cage Structures as Basic Blocks"
    Authors: Peng Song, Zhufeng Hou, Pedro Baptista de Castro, Kousuke Nakano, Kenta Hongo, Yoshihiko Takano, Ryo Maezono
    Journal Info: Chemistry of Materials 33(24) 9501-9507 Dec, 2021

  38. "Site-Selective Eu3+ Luminescence in the Monoclinic Phase of YSiO2N"
    Authors: Yuuki Kitagawa, Jumpei Ueda, Kotaro Fujii, Masatomo Yashima, Shiro Funahashi, Takayuki Nakanishi, Takashi Takeda, Naoto Hirosaki, Kenta Hongo, Ryo Maezono, Setsuhisa Tanabe
    Journal Info: Chemistry of Materials 33(22) 8873-8885 Nov 7, 2021

  39. "Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo"
    Authors: Genki Prayogo, Hyeondeok Shin, Anouar Benali, Ryo Maezono, Kenta Hongo
    Journal Info: ACS OMEGA 6(38) 24630-24636 Sep, 2021

  40. "High-Throughput Evaluation of Discharge Profiles of Nickel Substitution in LiNiO2 by Ab Initio Calculations"
    Authors: Satoshi Yoshio, Kenta Hongo, Kousuke Nakano, Ryo Maezono
    Journal Info: The Journal of Physical Chemistry C 125(27) 14517-14524 Jul 2, 2021

  41. "Surface Study of Cu2SnS3 Using First-Principles Density Functional Theory"
    Authors: Rohit Dahule, Abhishek Raghav, Adie Tri Hanindriyo, Kenta Hongo, Ryo Maezono, Emila Panda
    Journal Info: ADVANCED THEORY AND SIMULATIONS 4(6) 2000315 Jun, 2021

  42. "Exploring diamondlike lattice thermal conductivity crystals via feature-based transfer learning"
    Authors: Shenghong Ju, Ryo Yoshida, Chang Liu, Stephen Wu, Kenta Hongo, Terumasa Tadano, Junichiro Shiomi
    Journal Info: PHYSICAL REVIEW MATERIALS 5(5) May, 2021

  43. "Stochastic Estimations of the Total Number of Classes for a Clustering having Extremely Large Samples to be Included in the Clustering Engine"
    Authors: Keishu Utimula, Genki I. Prayogo, Kousuke Nakano, Kenta Hongo, Ryo Maezono
    Journal Info: ADVANCED THEORY AND SIMULATIONS 4(5) 2000301 May, 2021

  44. "Peculiar Atomic Bond Nature in Platinum Monatomic Chains"
    Authors: Jiaqi Zhang, Keisuke Ishizuka, Masahiko Tomitori, Toyoko Arai, Kenta Hongo, Ryo Maezono, Erio Tosatti, Yoshifumi Oshima
    Journal Info: NANO LETTERS 21(9) 3922-3928 May, 2021

  45. "A quantum annealing approach to ionic diffusion in solids."
    Authors: Keishu Utimula, Tom Ichibha, Genki I Prayogo, Kenta Hongo, Kousuke Nakano, Ryo Maezono
    Journal Info: Scientific reports 11(1) 7261-7261 Mar 31, 2021

  46. "Insights into the Mechanical and Electrical Properties of a Metal- Phosphorene Interface: An Ab Maio Study with a Wide Range of Metals"
    Authors: Abdul Ghaffar, Mohit D. Ganeriwala, Kenta Hongo, Ryo Maezono, Nihar R. Mohapatra
    Journal Info: ACS OMEGA 6(11) 7795-7803 Mar, 2021

  47. "GaN bandgap bias caused by semi-core treatment in pseudopotentials analyzed by the diffusion Monte Carlo method"
    Authors: Yutaka Nikaido, Tom Ichibha, Kousuke Nakano, Kenta Hongo, Ryo Maezono
    Journal Info: AIP Advances 11(2) 025225 Feb, 2021

  48. "Exploring Heat-Shielding Nanoparticle-Based Materials via First-Principles Calculations and Transfer Learning"
    Authors: Tomohiro Yoshida, Ryo Maezono, Kenta Hongo
    Journal Info: ACS Applied Nano Materials 4(2) 1932-1939 Feb, 2021

  49. "Synthesis, Electronic Structure, and Physical Properties of Layered Oxypnictides Sr2ScCrAsO3 and Ba3Sc2Cr2As2O5"
    Authors: Sugali Pavan Kumar Naik, Yuki Iwasa, Kenta Kuramochi, Yoshihisa Ichihara, Kohji Kishio, Kenta Hongo, Ryo Maezono, Taichiro Nishio, Hiraku Ogino
    Journal Info: Inorganic Chemistry 60(3) 1930-1936 Feb, 2021

  50. "Intrinsic carbon-doping induced synthesis of oxygen vacancies-mediated TiO2 nanocrystals: Enhanced photocatalytic NO removal performance and mechanism"
    Authors: Zhanyong Gu, Zhitao Cui, Zijing Wang, Ken Sinkou Qin, Yusuke Asakura, Takuya Hasegawa, Kenta Hongo, Ryo Maezono, Shu Yin
    Journal Info: Journal of Catalysis 393 179-189 Jan, 2021

  51. "Carbon vacancies and hydroxyls in graphitic carbon nitride: Promoted photocatalytic NO removal activity and mechanism"
    Authors: Zhanyong Gu, Zhitao Cui, Zijing Wang, Ken Sinkou Qin, Yusuke Asakura, Takuya Hasegawa, Satoshi Tsukuda, Kenta Hongo, Ryo Maezono, Shu Yin
    Journal Info: Applied Catalysis B-Environmental 279 119376-119376 Dec, 2020

  52. "Octahedral morphology of NiO with (111) facet synthesized from the transformation of NiOHCl for the NOx detection and degradation: experiment and DFT calculation"
    Authors: Angga Hermawan, Adie Tri Hanindriyo, Erland Rachmad Ramadhan, Yusuke Asakura, Takuya Hasegawa, Kenta Hongo, Miki Inada, Ryo Maezono, Shu Yin
    Journal Info: Inorganic Chemistry Frontiers 7(18) 3431-3442 Sep, 2020

  53. "Ab Initio Evaluation of Complexation Energies for Cyclodextrin-Drug Inclusion Complexes"
    Authors: Kenji Oqmhula, Kenta Hongo, Ryo Maezono, Tom Ichibha
    Journal Info: ACS Omega 5(31) 19371-19376 Aug, 2020

  54. "New layered perovskite family built from [CeTa2O7](-) layers: coloring mechanism from unique multi-transitions"
    Authors: Takuya Hasegawa, Atsushi Shigee, Yoshinori Nishiwaki, Makoto Nagasako, Adie Tri Hanindriyo, Kenta Hongo, Ryo Maezono, Tadaharu Ueda, Shu Yin
    Journal Info: Chemical Communications 56(61) 8591-8594 Aug, 2020

  55. "Ab initio thermodynamic properties of certain compounds in Nd-Fe-B system"
    Authors: Adie Tri Hanindriyo, Soumya Sridar, K. C. Hari Kumar, Kenta Hongo, Ryo Maezono
    Journal Info: Computational Materials Science 180 109696-109696 Jul, 2020

  56. "Machine-Learning Clustering Technique Applied to Powder X-Ray Diffraction Patterns to Distinguish Compositions of ThMn12-Type Alloys"
    Authors: Keishu Utimula, Rutchapon Hunkao, Masao Yano, Hiroyuki Kimoto, Kenta Hongo, Shogo Kawaguchi, Sujin Suwanna, Ryo Maezono
    Journal Info: Advanced Theory and Simulations 3(7) 2000039-2000039 Jul, 2020

  57. "Synergy of Binary Substitutions for Improving the Cycle Performance in LiNiO2 Revealed by Ab Initio Materials Informatics"
    Authors: Tomohiro Yoshida, Ryo Maezono, Kenta Hongo
    Journal Info: ACS Omega 5(22) 13403-13408 Jun, 2020

  58. "Two-Dimensional Perovskite Oxynitride K2LaTa2O6N with an H+/K+ Exchangeability in Aqueous Solution Forming a Stable Photocatalyst for Visible-Light H-2 Evolution"
    Authors: Takayoshi Oshima, Tom Ichibha, Kenji Oqmhula, Keisuke Hibino, Hiroto Mogi, Shunsuke Yamashita, Kotaro Fujii, Yugo Miseki, Kenta Hongo, Daling Lu, Ryo Maezono, Kazuhiro Sayama, Masatomo Yashima, Koji Kimoto, Hideki Kato, Masato Kakihana, Hiroshi Kageyama, Kazuhiko Maeda
    Journal Info: Angewandte Chemie - International Edition 59(24) 9736-9743 Jun, 2020

  59. "Electrochemical Properties and Crystal Structure of Li+/H+ Cation-Exchanged LiNiO2"
    Authors: Takahiro Toma, Ryo Maezono, Kenta Hongo
    Journal Info: ACS Applied Energy Materials 3(4) 4078-4087 Apr, 2020

  60. "Light Absorption Properties and Electronic Band Structures of Lead-Vanadium Oxyhalide Apatites Pb-5(VO4)(3)X (X=F, Cl, Br, I)"
    Authors: Masashi Nakamura, Kenji Oqmhula, Keishu Utimula, Miharu Eguchi, Kengo Oka, Kenta Hongo, Ryo Maezono, Kazuhiko Maeda
    Journal Info: CHEMISTRY-AN ASIAN JOURNAL 15(4) 540-545 Feb, 2020

  61. "Inconsistencies in ab initio evaluations of non-additive contributions of DNA stacking energies"
    Authors: Ken Sinkou Qin, Tom Ichibha, Kenta Hongo, Ryo Maezono
    Journal Info: Chemical Physics 529 110554-110554 Jan, 2020

  62. "Ti interstitial flows giving rutile TiO2 reoxidation process enhancement in (001) surface"
    Authors: Tom Ichibha, Anouar Benali, Kenta Hongo, Ryo Maezono
    Journal Info: Physical Review Materials 3(12) 125801 Dec, 2019

  63. "Method for the Calculation of the Hamaker Constants of Organic Materials by the Lifshitz Macroscopic Approach with Density Functional Theory"
    Authors: Hideyuki Takagishi, Takashi Masuda, Tatsuya Shimoda, Ryo Maezono, Kenta Hongo
    Journal Info: JOURNAL OF PHYSICAL CHEMISTRY A 123(40) 8726-8733 Oct, 2019

  64. "Synthesis, optical properties, and band structures of a series of layered mixed-anion compounds"
    Authors: Yuki Iwasa, Hiraku Ogino, Dongjoon Song, Verdad C. Agulto, Kohei Yamanoi, Toshihiko Shimizu, Jumpei Ueda, Kenta Hongo, Ryo Maezono, Setsuhisa Tanabe, Nobuhiko Sarukura
    Journal Info: Journal of Materials Science-Materials in Electronics 30(18) 16827-16832 Sep, 2019

  65. "beta-sheet elasticity of peptide self-assembly mimic, PSAM, with a grafted sequence characterized by comprehensive analyses of isomorphous crystals"
    Authors: Hideki Fujiwara, Kenta Hongo, Yuki Hori, Norio Yoshida, Koki Makabe
    Journal Info: Journal of Molecular Liquids 290(15) 111161-111161 Sep, 2019

  66. "Synthesis of Ba1-xSrxYSi2O5N and discussion based on structure analysis and DFT calculation"
    Authors: Takuya Yasunaga, Makoto Kobayashi, Kenta Hongo, Kotaro Fujii, Shunsuke Yamamoto, Ryo Maezono, Masatomo Yashima, Masaya Mitsuishi, Hideki Kato, Masato Kakihana
    Journal Info: Journal of Solid State Chemistry 276 266-271 Aug, 2019

  67. "Ab Initio Search of Polymer Crystals with High Thermal Conductivity"
    Authors: Keishu Utimula, Tom Ichibha, Ryo Maezono, Kenta Hongo
    Journal Info: CHEMISTRY OF MATERIALS 31(13) 4649-4656 Jul, 2019

  68. "Machine-learning-assisted discovery of polymers with high thermal conductivity using a molecular design algorithm"
    Authors: Stephen Wu, Yukiko Kondo, Masa-aki Kakimoto, Bin Yang, Hironao Yamada, Isao Kuwajima, Guillaume Lambard, Kenta Hongo, Yibin Xu, Junichiro Shiomi, Christoph Schick, Junko Morikawa, Ryo Yoshida
    Journal Info: npj Computational Materials 5(1) 66 Jun, 2019

  69. "First-Principles Study of Structural Transitions in LiNiO2 and High-Throughput Screening for Long Life Battery"
    Authors: Tomohiro Yoshida, Kenta Hongo, Ryo Maezono
    Journal Info: Journal of Physical Chemistry C 123(23) 14126-14131 Jun, 2019

  70. "A new ab initio modeling scheme for the ion self-diffusion coefficient applied to the epsilon-Cu3Sn phase of the Cu-Sn alloy"
    Authors: Tom Ichibha, Genki Prayogo, Kenta Hongo, Ryo Maezono
    Journal Info: Physical Chemistry Chemical Physics 21(9) 5158-5164 Mar, 2019

  71. "Crystal structure analysis and evidence of mixed anion coordination at the Ce3+ site in Y3Al2(Al,Si)(3)(O,N)(12) oxynitride garnet phosphor"
    Authors: Kazuki Asami, Masahiro Shiraiwa, Jumpei Ueda, Kotaro Fujii, Kenta Hongo, Ryo Maezono, Mikhail G. Brik, Masatomo Yashima, Setsuhisa Tanabe
    Journal Info: Journal of Materials Chemistry C 7(5) 1330-1336 Feb, 2019

  72. "High-Pressure Synthesis of A(2)NiO(2)Ag(2)Se(2) (A=Sr, Ba) with a High-Spin Ni2+ in Square-Planar Coordination"
    Authors: Yuki Matsumoto, Takafumi Yamamoto, Kousuke Nakano, Hiroshi Takatsu, Taito Murakami, Kenta Hongo, Ryo Maezono, Hiraku Ogino, Dongjoon Song, Craig M. Brown, Cedric Tassel, Hiroshi Kageyama
    Journal Info: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58(3) 756-759 Jan, 2019

  73. "Light Absorption Properties and Electronic Band Structures of Lead Titanium Oxyfluoride Photocatalysts Pb2Ti4O9F2 and Pb2Ti2O5.4F1.2"
    Authors: Haruki Wakayama, Keishu Utimula, Tom Ichibha, Ryo Kuriki, Kenta Hongo, Ryo Maezono, Kengo Oka, Kazuhiko Maeda
    Journal Info: Journal of Physical Chemistry C 122(46) 26506-26511 Nov, 2018

  74. "Development of Persistent Phosphor of Eu2+ Doped Ba2SiO4 by Er3+ Codoping Based on Vacuum Referred Binding Energy Diagram"
    Authors: Kazuki Asami, Jumpei Ueda, Kotaro Yasuda, Kenta Hongo, Ryo Maezono, Mikhail G. Brik, Setsuhisa Tanabe
    Journal Info: Optical Materials 84 436-441 Oct, 2018

  75. "Undoped Layered Perovskite Oxynitride Li2LaTa2O6N for Photocatalytic CO2 Reduction with Visible Light"
    Authors: Takayoshi Oshima, Tom Ichibha, Ken Sinkou Qin, Kanemichi Muraoka, Junie Jhon M. Vequizo, Keisuke Hibino, Ryo Kuriki, Shunsuke Yamashita, Kenta Hongo, Tomoki Uchiyama, Kotaro Fujii, Daling Lu, Ryo Maezono, Akira Yamakata, Hideki Kato, Koji Kimoto, Masatomo Yashima, Yoshiharu Uchimoto, Masato Kakihana, Osamu Ishitani, Hiroshi Kageyama, Kazuhiko Maeda
    Journal Info: Angewandte Chemie-International Edition 57(27) 8154-8158 Jul, 2018

  76. "Stabilization Mechanism of the Tetragonal Structure in a Hydrothermally Synthesized BaTiO3 Nanocrystal"
    Authors: Kenta Hongo, Sinji Kurata, Apichai Jomphoak, Miki Inada, Katsuro Hayashi, Ryo Maezono
    Journal Info: Inorganic Chemistry 57(9) 5413-5419 May, 2018

  77. "A Stable, Narrow-Gap Oxyfluoride Photocatalyst for Visible-Light Hydrogen Evolution and Carbon Dioxide Reduction"
    Authors: Ryo Kuriki, Tom Ichibha, Kenta Hongo, Daling Lu, Ryo Maezono, Hiroshi Kageyama, Osamu Ishitani, Kengo Oka, Kazuhiko Maeda
    Journal Info: Journal of the American Chemical Society 140(21) 6648-6655 May, 2018

  78. "Adhesion of electrodes on diamond (111) surface: A DFT study"
    Authors: Tom Ichibha, Kenta Hongo, I. Motochi, N. W. Makau, G. O. Amolo, Ryo Maezono
    Journal Info: Diamond and Related Materials 81 168-175 Jan, 2018

  79. "Valence Band Engineering of Layered Bismuth Oxyhalides toward Stable Visible-Light Water Splitting: Madelung Site Potential Analysis"
    Authors: Daichi Kato, Kenta Hongo, Ryo Maezono, Masanobu Higashi, Hironobu Kunioku, Masayoshi Yabuuchi, Hajime Suzuki, Hiroyuki Okajima, Chengchao Zhong, Kousuke Nakano, Ryu Abe, Hiroshi Kageyama
    Journal Info: Journal of the American Chemical Society 139(51) 18725-18731 Dec, 2017

  80. "A Computational Scheme To Evaluate Hamaker Constants of Molecules with Practical Size and Anisotropy"
    Authors: Kenta Hongo, Ryo Maezono
    Journal Info: Journal of Chemical Theory and Computation 13(11) 5217-5230 Nov, 2017

  81. "Investigation into Structural Phase Transitions in Layered Titanium-Oxypnictides by a Computational Phonon Analysis"
    Authors: Kousuke Nakano, Kenta Hongo, Ryo Maezono
    Journal Info: Inorganic Chemistry 56(22) 13732-13740 Nov, 2017

  82. "New Insight into the Ground State of FePc: A Diffusion Monte Carlo Study"
    Authors: Tom Ichibha, Zhufeng Hou, Kenta Hongo, Ryo Maezono
    Journal Info: Scientific Reports 7(1) 2011-2011 May, 2017

  83. "Bayesian Molecular Design with a Chemical Language Model"
    Authors: Hisaki Ikebata, Kenta Hongo, Tetsu Isomura, Ryo Maezono, Ryo Yoshida
    Journal Info: Journal of Computer-Aided Molecular Design 31(4) 379-391 Apr, 2017

  84. "Phonon Dispersions and Fermi Surfaces Nesting Explaining the Variety of Charge Ordering in Titanium-Oxypnictides Superconductors"
    Authors: Kousuke Nakano, Kenta Hongo, Ryo Maezono
    Journal Info: Scientific Reports 6 29661 Jul, 2016

  85. "Diffusion Monte Carlo Study of Para-Diiodobenzene Polymorphism Revisited"
    Authors: Kenta Hongo, Mark A. Watson, Toshiaki Iitaka, Alan Aspuru-Guzik, Ryo Maezono
    Journal Info: JOURNAL OF CHEMICAL THEORY AND COMPUTATION 11(3) 907-917 Mar, 2015

  86. "The Importance of Electron Correlation on Stacking Interaction of Adenine-Thymine Base-Pair Step in B-DNA: A Quantum Monte Carlo Study"
    Authors: Kenta Hongo, Nguyen Thanh Cuong, Ryo Maezono
    Journal Info: JOURNAL OF CHEMICAL THEORY AND COMPUTATION 9(2) 1081-1086 Feb, 2013

  87. "Gold-standard coupled-cluster study of the ground-state chromium dimer cation"
    Authors: Yurika Yamada, Kenta Hongo, Kazuhiro Egashira, Yukiumi Kita, Umpei Nagashima, Masanori Tachikawa
    Journal Info: Chemical Physics Letters 555 84-86 Jan, 2013

  88. "A benchmark quantum Monte Carlo study of the ground state chromium dimer"
    Authors: Kenta Hongo, Ryo Maezono
    Journal Info: International Journal of Quantum Chemistry 112(5) 1243-1255 Mar, 2012

  89. "Quantum Monte Carlo Simulations with RANLUX Random Number Generator"
    Authors: Kenta Hongo, Ryo Maezono
    Journal Info: Progress in Nuclear Science and Technology 2(0) 51-55 Oct 1, 2011

  90. "Unified interpretation of Hund's first and second rules for 2p and 3p atoms"
    Authors: Takayuki Oyamada, Kenta Hongo, Yoshiyuki Kawazoe, Hiroshi Yasuhara
    Journal Info: Journal of Chemical Physics 133(16) 164113-164113 Oct, 2010

  91. "Random Number Generators Tested on Quantum Monte Carlo Simulations"
    Authors: Kenta Hongo, Ryo Maezono, Kenichi Miura
    Journal Info: Journal of Computational Chemistry 31(11) 2186-2194 Aug, 2010

  92. "Failure of Conventional Density Functionals for the Prediction of Molecular Crystal Polymorphism: A Quantum Monte Carlo Study"
    Authors: Kenta Hongo, Mark A. Watson, Roel S. Sanchez-Carrera, Toshiaki Iitaka, Alan Aspuru-Guzik
    Journal Info: Journal of Physical Chemistry Letters 1(12) 1789-1794 Jun, 2010

  93. "Ab initio interpretation of Hund's rule for the methylene molecule: Variational optimization of its molecular geometries and energy component analysis"
    Authors: Youhei Maruyama, Kenta Hongo, Masanori Tachikawa, Yoshiyuki Kawazoe, Hiroshi Yasuhara
    Journal Info: International Journal of Quantum Chemistry 108(4) 731-743 Mar, 2008

  94. "Diffusion Monte Carlo study of correlation in the hydrogen molecule"
    Authors: Kenta Hongo, Yoshiyuki Kawazoe, Hiroshi Yasuhara
    Journal Info: International Journal of Quantum Chemistry 107(6) 1459-1467 May, 2007

  95. "Correct interpretation of Hund's rule and chemical bonding based on the virial theorem"
    Authors: Kenta Hongo, Takayuki Oyamada, Youhei Maruyama, Yoshiyuki Kawazoe, Hiroshi Yasuhara
    Journal Info: Materials Transactions 48(4) 662-665 Apr, 2007

  96. "Correct interpretation of Hund's multiplicity rule for atoms and molecules"
    Authors: Kenta Hongo, Takayuki Oyamada, Youhei Maruyama, Yoshivuki Kawazoe, Hiroshi Yasuhara
    Journal Info: Journal of Magnetism and Magnetic Materials 310(2) E560-E562 Mar, 2007

  97. "Diffusion Monte Carlo study of atomic systems from Li to Ne"
    Authors: Kenta Hongo, Yoshiyuki Kawazoe, Hiroshi Yasuhara
    Journal Info: Materials Transactions 47(11) 2612-2616 Nov, 2006

  98. "Quantum Monte Carlo study of electron correlation in chromium-doped silicon cluster Cr@Si-12"
    Authors: Kenta Hongo, Vijay Kumar, Yoshiyuki Kawazoe, Hiroshi Yasuhara
    Journal Info: Materials Transactions 47(11) 2617-2619 Nov, 2006

  99. "The influence of correlation on the interpretation of Hund's multiplicity rule: A quantum Monte Carlo study"
    Authors: Takayuki Oyamada, Kenta Hongo, Yoshiyuki Kawazoe, Hiroshi Yasuhara
    Journal Info: Journal of Chemical Physics 125(1) 014101 Jul, 2006

  100. "Interpretation of Hund's multiplicity rule for the carbon atom"
    Authors: Kenta Hongo, Ryo Maezono, Yoshiyuki Kawazoe, Hiroshi Yasuhara, M D Towler, R J Needs
    Journal Info: Journal of Chemical Physics 121(15) 7144-7 Oct 15, 2004

  101. "An orbital-dependent correlation energy functional in density-functional theory for the study of strongly-correlated electronic systems"
    Authors: Hiroshi Yasuhara, Masahiko Higuchi, Soh Ishii, Kenta Hongo, Yoshiyuki Kawazoe
    Journal Info: Materials Transactions 45(5) 1402-1410 May, 2004

  102. "Multiscale simulation of cluster growth and deposition processes by hybrid model based on direct simulation Monte Carlo method"
    Authors: Hiroshi Mizuseki, Kenta Hongo, Yoshiyuki Kawazoe, Luc T Wille
    Journal Info: Computational Materials Science 24(1-2) 88-92 May, 2002

  103. "Hybrid model simulation of the cluster deposition process"
    Authors: Kenta Hongo, Hiroshi Mizuseki, Yoshiyuki Kawazoe, Luc T Wille
    Journal Info: Journal of Crystal Growth 236(1-3) 429-433 Mar, 2002

  104. "Multiscale simulation of cluster growth and deposition processes by direct simulation Monte Carlo method"
    Authors: Hiroshi Mizuseki, Kenta Hongo, Yoshiyuki Kawazoe, Luc T Wille
    Journal Info: SCRIPTA MATERIALIA 44(8-9) 1911-1914 May, 2001

  105. "A Monte Carlo Simulation on the Process of Cluster Deposition"
    Authors: Kenta Hongo, Hiroshi Mizuseki, Yoshiyuki Kawazoe
    Journal Info: MATERIALS TRANSACTIONS 42(3) 439-442 2001