トップページ  >  教員個別情報  >  発表論文
本郷 研太 (HONGO, Kenta)准教授
情報科学系, 環境・エネルギー領域, マテリアルズインフォマティクス国際研究拠点, 情報社会基盤研究センター

発表論文

67件
High-Throughput Evaluation of Discharge Profiles of Nickel Substitution in LiNiO2 by Ab Initio Calculations
Satoshi Yoshio, Kenta Hongo, Kousuke Nakano, Ryo Maezono
The Journal of Physical Chemistry C, -, 2021
Surface Study of Cu2SnS3 Using First-Principles Density Functional Theory
Rohit Dahule, Abhishek Raghav, Adie Tri Hanindriyo, Kenta Hongo, Ryo Maezono, Emila Panda
ADVANCED THEORY AND SIMULATIONS, 4, 6, -, 2021
Exploring diamondlike lattice thermal conductivity crystals via feature-based transfer learning
Shenghong Ju, Ryo Yoshida, Chang Liu, Stephen Wu, Kenta Hongo, Terumasa Tadano, Junichiro Shiomi
PHYSICAL REVIEW MATERIALS, 5, 5, -, 2021
Stochastic Estimations of the Total Number of Classes for a Clustering having Extremely Large Samples to be Included in the Clustering Engine
Keishu Utimula, Genki I. Prayogo, Kousuke Nakano, Kenta Hongo, Ryo Maezono
ADVANCED THEORY AND SIMULATIONS, 4, 5, -, 2021
Peculiar Atomic Bond Nature in Platinum Monatomic Chains
Jiaqi Zhang, Keisuke Ishizuka, Masahiko Tomitori, Toyoko Arai, Kenta Hongo, Ryo Maezono, Erio Tosatti, Yoshifumi Oshima
Nano Letters, 21, 9, 3922-3928, 2021
A quantum annealing approach to ionic diffusion in solids.
Keishu Utimula, Tom Ichibha, Genki I Prayogo, Kenta Hongo, Kousuke Nakano, Ryo Maezono
Scientific reports, 11, 1, 7261-7261, 2021
Insights into the Mechanical and Electrical Properties of a Metal–Phosphorene Interface: An Ab Initio Study with a Wide Range of Metals
Abdul Ghaffar, Mohit D. Ganeriwala, Kenta Hongo, Ryo Maezono, Nihar R. Mohapatra
ACS Omega, 6, 11, 7795-7803, 2021
GaN bandgap bias caused by semi-core treatment in pseudopotentials analyzed by the diffusion Monte Carlo method
Yutaka Nikaido, Tom Ichibha, Kousuke Nakano, Kenta Hongo, Ryo Maezono
AIP ADVANCES, 11, 2, 025225-025225, 2021
Exploring Heat-Shielding Nanoparticle-Based Materials via First-Principles Calculations and Transfer Learning
Tomohiro Yoshida, Ryo Maezono, Kenta Hongo
ACS APPLIED NANO MATERIALS, 4, 2, 1932-1939, 2021
Synthesis, Electronic Structure, and Physical Properties of Layered Oxypnictides Sr2ScCrAsO3 and Ba3Sc2Cr2As2O5
Sugali Pavan Kumar Naik, Yuki Iwasa, Kenta Kuramochi, Yoshihisa Ichihara, Kohji Kishio, Kenta Hongo, Ryo Maezono, Taichiro Nishio, Hiraku Ogino
INORGANIC CHEMISTRY, 60, 3, 1930-1936, 2021
Intrinsic carbon-doping induced synthesis of oxygen vacancies-mediated TiO2 nanocrystals: Enhanced photocatalytic NO removal performance and mechanism
Zhanyong Gu, Zhitao Cui, Zijing Wang, Ken Sinkou Qin, Yusuke Asakura, Takuya Hasegawa, Kenta Hongo, Ryo Maezono, Shu Yin
JOURNAL OF CATALYSIS, 393, 179-189, 2021
Carbon vacancies and hydroxyls in graphitic carbon nitride: Promoted photocatalytic NO removal activity and mechanism
Zhanyong Gu, Zhitao Cui, Zijing Wang, Ken Sinkou Qin, Yusuke Asakura, Takuya Hasegawa, Satoshi Tsukuda, Kenta Hongo, Ryo Maezono, Shu Yin
APPLIED CATALYSIS B-ENVIRONMENTAL, 279, 119376-119376, 2020
Octahedral morphology of NiO with (111) facet synthesized from the transformation of NiOHCl for the NOx detection and degradation: experiment and DFT calculation
Angga Hermawan, Adie Tri Hanindriyo, Erland Rachmad Ramadhan, Yusuke Asakura, Takuya Hasegawa, Kenta Hongo, Miki Inada, Ryo Maezono, Shu Yin
INORGANIC CHEMISTRY FRONTIERS, 7, 18, 3431-3442, 2020
Ab Initio Evaluation of Complexation Energies for Cyclodextrin-Drug Inclusion Complexes
Kenji Oqmhula, Kenta Hongo, Ryo Maezono, Tom Ichibha
ACS OMEGA, 5, 31, 19371-19376, 2020
New layered perovskite family built from [CeTa2O7](-) layers: coloring mechanism from unique multi-transitions
Takuya Hasegawa, Atsushi Shigee, Yoshinori Nishiwaki, Makoto Nagasako, Adie Tri Hanindriyo, Kenta Hongo, Ryo Maezono, Tadaharu Ueda, Shu Yin
CHEMICAL COMMUNICATIONS, 56, 61, 8591-8594, 2020
Ab initio thermodynamic properties of certain compounds in Nd-Fe-B system
Adie Tri Hanindriyo, Soumya Sridar, K. C. Hari Kumar, Kenta Hongo, Ryo Maezono
COMPUTATIONAL MATERIALS SCIENCE, 180, 109696-109696, 2020
Machine-Learning Clustering Technique Applied to Powder X-Ray Diffraction Patterns to Distinguish Compositions of ThMn12-Type Alloys
Keishu Utimula, Rutchapon Hunkao, Masao Yano, Hiroyuki Kimoto, Kenta Hongo, Shogo Kawaguchi, Sujin Suwanna, Ryo Maezono
ADVANCED THEORY AND SIMULATIONS, 3, 7, 2000039-2000039, 2020
Two-Dimensional Perovskite Oxynitride K2LaTa2O6N with an H+/K+ Exchangeability in Aqueous Solution Forming a Stable Photocatalyst for Visible-Light H-2 Evolution
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
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 59, 24, 9736-9743, 2020
Electrochemical Properties and Crystal Structure of Li+/H+ Cation-Exchanged LiNiO2
Takahiro Toma, Ryo Maezono, Kenta Hongo
ACS APPLIED ENERGY MATERIALS, 3, 4, 4078-4087, 2020
Light Absorption Properties and Electronic Band Structures of Lead‐Vanadium Oxyhalide Apatites Pb 5 (VO 4 ) 3 X (X=F, Cl, Br, I)
Masashi Nakamura, Kenji Oqmhula, Keishu Utimula, Miharu Eguchi, Kengo Oka, Kenta Hongo, Ryo Maezono, Kazuhiko Maeda
Chemistry – An Asian Journal, 15, 4, 540-545, 2020
Inconsistencies in ab initio evaluations of non-additive contributions of DNA stacking energies
Ken Sinkou Qin, Tom Ichibha, Kenta Hongo, Ryo Maezono
CHEMICAL PHYSICS, 529, 110554-110554, 2020
Ti interstitial flows giving rutile TiO2 reoxidation process enhancement in (001) surface
Tom Ichibha, Anouar Benali, Kenta Hongo, Ryo Maezono
PHYSICAL REVIEW MATERIALS, 3, 12, -, 2019
Method for the Calculation of the Hamaker Constants of Organic Materials by the Lifshitz Macroscopic Approach with Density Functional Theory
Hideyuki Takagishi, Takashi Masuda, Tatsuya Shimoda, Ryo Maezono, Kenta Hongo
JOURNAL OF PHYSICAL CHEMISTRY A, 123, 40, 8726-8733, 2019
Synthesis, optical properties, and band structures of a series of layered mixed-anion compounds
Yuki Iwasa, Hiraku Ogino, Dongjoon Song, Verdad C. Agulto, Kohei Yamanoi, Toshihiko Shimizu, Jumpei Ueda, Kenta Hongo, Ryo Maezono, Setsuhisa Tanabe, Nobuhiko Sarukura
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 30, 18, 16827-16832, 2019
β-sheet elasticity of peptide self-assembly mimic, PSAM, with a graftedsequence characterized by comprehensive analyses ofisomorphous crystals
Hideki Fujiwara, Kenta Hongo, Yuki Hori, Norio Yoshida, Koki Makabe
J. Mol. Liq., 290, 15, 111161-111161, 2019
Synthesis of Ba1-xSrxYSi2O5N and discussion based on structure analysis and DFT calculation
Takuya Yasunaga, Makoto Kobayashi, Kenta Hongo, Kotaro Fujii, Shunsuke Yamamoto, Ryo Maezono, Masatomo Yashima, Masaya Mitsuishi, Hideki Kato, Masato Kakihana
JOURNAL OF SOLID STATE CHEMISTRY, 276, 266-271, 2019
Ab Initio Search of Polymer Crystals with High Thermal Conductivity
Keishu Utimula, Tom Ichibha, Ryo Maezono, Kenta Hongo
CHEMISTRY OF MATERIALS, 31, 13, 4649-4656, 2019
Machine-learning-assisted discovery of polymers with high thermal conductivity using a molecular design algorithm
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
NPJ COMPUTATIONAL MATERIALS, 5, 1, -, 2019
First-Principles Study of Structural Transitions in LiNiO2 and High-Throughput Screening for Long Life Battery
Tomohiro Yoshida, Kenta Hongo, Ryo Maezono
JOURNAL OF PHYSICAL CHEMISTRY C, 123, 23, 14126-14131, 2019
A new ab initio modeling scheme for the ion self-diffusion coefficient applied to the epsilon-Cu3Sn phase of the Cu-Sn alloy
Tom Ichibha, Genki Prayogo, Kenta Hongo, Ryo Maezono
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21, 9, 5158-5164, 2019
Crystal structure analysis and evidence of mixed anion coordination at the Ce3+ site in Y3Al2(Al,Si)(3)(O,N)(12) oxynitride garnet phosphor
Kazuki Asami, Masahiro Shiraiwa, Jumpei Ueda, Kotaro Fujii, Kenta Hongo, Ryo Maezono, Mikhail G. Brik, Masatomo Yashima, Setsuhisa Tanabe
JOURNAL OF MATERIALS CHEMISTRY C, 7, 5, 1330-1336, 2019
High-Pressure Synthesis of A(2)NiO(2)Ag(2)Se(2) (A=Sr, Ba) with a High-Spin Ni2+ in Square-Planar Coordination
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
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 58, 3, 756-759, 2019
Light Absorption Properties and Electronic Band Structures of Lead Titanium Oxyfluoride Photocatalysts Pb2Ti4O9F2 and Pb2Ti2O5.4F1.2
Haruki Wakayama, Keishu Utimula, Tom Ichibha, Ryo Kuriki, Kenta Hongo, Ryo Maezono, Kengo Oka, Kazuhiko Maeda
JOURNAL OF PHYSICAL CHEMISTRY C, 122, 46, 26506-26511, 2018
Development of persistent phosphor of Eu2+ doped Ba2SiO4 by Er3+ codoping based on vacuum referred binding energy diagram
Kazuki Asami, Jumpei Ueda, Kotaro Yasuda, Kenta Hongo, Ryo Maezono, Mikhail G. Brik, Setsuhisa Tanabe
OPTICAL MATERIALS, 84, 436-441, 2018
Undoped Layered Perovskite Oxynitride Li2LaTa2O6N for Photocatalytic CO2 Reduction with Visible Light
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
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 57, 27, 8154-8158, 2018
Stabilization Mechanism of the Tetragonal Structure in a Hydrothermally Synthesized BaTiO3 Nanocrystal
Kenta Hongo, Sinji Kurata, Apichai Jomphoak, Miki Inada, Katsuro Hayashi, Ryo Maezono
INORGANIC CHEMISTRY, 57, 9, 5413-5419, 2018
A Stable, Narrow-Gap Oxyfluoride Photocatalyst for Visible-Light Hydrogen Evolution and Carbon Dioxide Reduction
Ryo Kuriki, Tom Ichibha, Kenta Hongo, Daling Lu, Ryo Maezono, Hiroshi Kageyama, Osamu Ishitani, Kengo Oka, Kazuhiko Maeda
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 140, 21, 6648-6655, 2018
Adhesion of electrodes on diamond (111) surface: A DFT study
Tom Ichibha, Kenta Hongo, I. Motochi, N. W. Makau, G. O. Amolo, Ryo Maezono
DIAMOND AND RELATED MATERIALS, 81, 168-175, 2018
Valence Band Engineering of Layered Bismuth Oxyhalides toward Stable Visible-Light Water Splitting: Madelung Site Potential Analysis
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 OF THE AMERICAN CHEMICAL SOCIETY, 139, 51, 18725-18731, 2017
A Computational Scheme To Evaluate Hamaker Constants of Molecules with Practical Size and Anisotropy
Kenta Hongo, Ryo Maezono
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 13, 11, 5217-5230, 2017
Investigation into Structural Phase Transitions in Layered Titanium-Oxypnictides by a Computational Phonon Analysis
Kousuke Nakano, Kenta Hongo, Ryo Maezono
INORGANIC CHEMISTRY, 56, 22, 13732-13740, 2017
New Insight into the Ground State of FePc: A Diffusion Monte Carlo Study
Tom Ichibha, Zhufeng Hou, Kenta Hongo, Ryo Maezono
SCIENTIFIC REPORTS, 7, 1, 2011-2011, 2017
Bayesian molecularL design with a chemical language model
Hisaki Ikebata, Kenta Hongo, Tetsu Isomura, Ryo Maezono, Ryo Yoshida
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 31, 4, 379-391, 2017
Diffusion Monte Carlo Study of Para-Diiodobenzene Polymorphism Revisited
Kenta Hongo, Mark A. Watson, Toshiaki Iitaka, Alan Aspuru-Guzik, Ryo Maezono
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 11, 3, 907-917, 2015
The Importance of Electron Correlation on Stacking Interaction of Adenine-Thymine Base-Pair Step in B-DNA: A Quantum Monte Carlo Study
Kenta Hongo, Nguyen Thanh Cuong, Ryo Maezono
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9, 2, 1081-1086, 2013
Gold-standard coupled-cluster study of the ground-state chromium dimer cation
Yurika Yamada, Kenta Hongo, Kazuhiro Egashira, Yukiumi Kita, Umpei Nagashima, Masanori Tachikawa
CHEMICAL PHYSICS LETTERS, 555, 84-86, 2013
A benchmark quantum Monte Carlo study of the ground state chromium dimer
Kenta Hongo, Ryo Maezono
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 112, 5, 1243-1255, 2012
Quantum Monte Carlo Simulations with RANLUX Random Number Generator
Kenta HONGO, Ryo MAEZONO
Progress in Nuclear Science and Technology, 2, 0, 51-55, 2011
Unified interpretation of Hund's first and second rules for 2p and 3p atoms
Takayuki Oyamada, Kenta Hongo, Yoshiyuki Kawazoe, Hiroshi Yasuhara
JOURNAL OF CHEMICAL PHYSICS, 133, 16, 164113-164113, 2010
Random Number Generators Tested on Quantum Monte Carlo Simulations
Kenta Hongo, Ryo Maezono, Kenichi Miura
JOURNAL OF COMPUTATIONAL CHEMISTRY, 31, 11, 2186-2194, 2010
Failure of Conventional Density Functionals for the Prediction of Molecular Crystal Polymorphism: A Quantum Monte Carlo Study
Kenta Hongo, Mark A. Watson, Roel S. Sanchez-Carrera, Toshiaki Iitaka, Alan Aspuru-Guzik
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 1, 12, 1789-1794, 2010
Ab initio interpretation of Hund's rule for the methylene molecule: Variational optimization of its molecular geometries and energy component analysis
Youhei Maruyama, Kenta Hongo, Masanori Tachikawa, Yoshiyuki Kawazoe, Hiroshi Yasuhara
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 108, 4, 731-743, 2008
Diffusion Monte Carlo study of correlation in the hydrogen molecule
Kenta Hongo, Yoshiyuki Kawazoe, Hiroshi Yasuhara
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 107, 6, 1459-1467, 2007
Correct interpretation of Hund's rule and chemical bonding based on the virial theorem
Kenta Hongo, Takayuki Oyamada, Youhei Maruyama, Yoshiyuki Kawazoe, Hiroshi Yasuhara
MATERIALS TRANSACTIONS, 48, 4, 662-665, 2007
Correct interpretation of Hund's multiplicity rule for atoms and molecules
Kenta Hongo, Takayuki Oyamada, Youhei Maruyama, Yoshivuki Kawazoe, Hiroshi Yasuhara
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 310, 2, E560-E562, 2007
Diffusion Monte Carlo study of atomic systems from Li to Ne
Kenta Hongo, Yoshiyuki Kawazoe, Hiroshi Yasuhara
MATERIALS TRANSACTIONS, 47, 11, 2612-2616, 2006
Quantum Monte Carlo study of electron correlation in chromium-doped silicon cluster Cr@Si-12
Kenta Hongo, Vijay Kumar, Yoshiyuki Kawazoe, Hiroshi Yasuhara
MATERIALS TRANSACTIONS, 47, 11, 2617-2619, 2006
The influence of correlation on the interpretation of Hund's multiplicity rule: A quantum Monte Carlo study
Takayuki Oyamada, Kenta Hongo, Yoshiyuki Kawazoe, Hiroshi Yasuhara
JOURNAL OF CHEMICAL PHYSICS, 125, 1, 014101-014101, 2006
Interpretation of Hund's multiplicity rule for the carbon atom.
Kenta Hongo, Ryo Maezono, Yoshiyuki Kawazoe, Hiroshi Yasuhara, M D Towler, R J Needs
The Journal of chemical physics, 121, 15, 7144-7, 2004
An orbital-dependent correlation energy functional in density-functional theory for the study of strongly-correlated electronic systems
H Yasuhara, M Higuchi, S Ishii, K Hongo, Y Kawazoe
MATERIALS TRANSACTIONS, 45, 5, 1402-1410, 2004
Multiscale simulation of cluster growth and deposition processes by hybrid model based on direct simulation Monte Carlo method
H Mizuseki, K Hongo, Y Kawazoe, LT Wille
COMPUTATIONAL MATERIALS SCIENCE, 24, 1-2, 88-92, 2002
Hybrid model simulation of the cluster deposition process
K Hongo, H Mizuseki, Y Kawazoe, LT Wille
JOURNAL OF CRYSTAL GROWTH, 236, 1-3, 429-433, 2002
Multiscale simulation of cluster growth and deposition processes by direct simulation Monte Carlo method
H Mizuseki, K Hongo, Y Kawazoe, LT Wille
SCRIPTA MATERIALIA, 44, 8-9, 1911-1914, 2001
A Monte Carlo simulation on the process of cluster deposition
K. Hongo, H. Mizuseki, Y. Kawazoe
Materials Transactions, 42, 3, 439-442, 2001