フォロー
Kenta Hongo
Kenta Hongo
Associate Professor at Research Center for Advanced Computing Infrastructure, JAIST
確認したメール アドレス: jaist.ac.jp
タイトル
引用先
引用先
Machine-learning-assisted discovery of polymers with high thermal conductivity using a molecular design algorithm
S Wu, Y Kondo, M Kakimoto, B Yang, H Yamada, I Kuwajima, G Lambard, ...
Npj Computational Materials 5 (1), 1-11, 2019
1442019
A stable, narrow-gap oxyfluoride photocatalyst for visible-light hydrogen evolution and carbon dioxide reduction
R Kuriki, T Ichibha, K Hongo, D Lu, R Maezono, H Kageyama, O Ishitani, ...
Journal of the American Chemical Society 140 (21), 6648-6655, 2018
1002018
Valence band engineering of layered bismuth oxyhalides toward stable visible-light water splitting: madelung site potential analysis
D Kato, K Hongo, R Maezono, M Higashi, H Kunioku, M Yabuuchi, ...
Journal of the American Chemical Society 139 (51), 18725-18731, 2017
952017
Bayesian molecular design with a chemical language model
H Ikebata, K Hongo, T Isomura, R Maezono, R Yoshida
Journal of computer-aided molecular design 31 (4), 379-391, 2017
942017
Failure of conventional density functionals for the prediction of molecular crystal polymorphism: a Quantum Monte Carlo Study
K Hongo, MA Watson, RS Sánchez-Carrera, T Iitaka, A Aspuru-Guzik
The Journal of Physical Chemistry Letters 1 (12), 1789-1794, 2010
802010
Undoped Layered Perovskite Oxynitride Li2LaTa2O6N for Photocatalytic CO2 Reduction with Visible Light
T Oshima, T Ichibha, KS Qin, K Muraoka, JJM Vequizo, K Hibino, R Kuriki, ...
Angewandte Chemie 130 (27), 8286-8290, 2018
572018
Interpretation of Hund’s multiplicity rule for the carbon atom
K Hongo, R Maezono, Y Kawazoe, H Yasuhara, MD Towler, RJ Needs
The Journal of chemical physics 121 (15), 7144-7147, 2004
442004
Carbon vacancies and hydroxyls in graphitic carbon nitride: promoted photocatalytic NO removal activity and mechanism
Z Gu, Z Cui, Z Wang, KS Qin, Y Asakura, T Hasegawa, S Tsukuda, ...
Applied Catalysis B: Environmental 279, 119376, 2020
362020
The importance of electron correlation on stacking interaction of adenine-thymine base-pair step in B-DNA: A quantum Monte Carlo study
K Hongo, NT Cuong, R Maezono
Journal of Chemical Theory and Computation 9 (2), 1081-1086, 2013
342013
A benchmark quantum Monte Carlo study of the ground state chromium dimer
K Hongo, R Maezono
International Journal of Quantum Chemistry 112 (5), 1243-1255, 2012
332012
Light Absorption Properties and Electronic Band Structures of Lead Titanium Oxyfluoride Photocatalysts Pb2Ti4O9F2 and Pb2Ti2O5.4F1.2
H Wakayama, K Utimula, T Ichibha, R Kuriki, K Hongo, R Maezono, K Oka, ...
The Journal of Physical Chemistry C 122 (46), 26506-26511, 2018
262018
Diffusion Monte Carlo Study of Para-Diiodobenzene Polymorphism Revisited
K Hongo, MA Watson, T Iitaka, A Aspuru-Guzik, R Maezono
Journal of chemical theory and computation 11 (3), 907-917, 2015
252015
Unified interpretation of Hund’s first and second rules for and atoms
T Oyamada, K Hongo, Y Kawazoe, H Yasuhara
The Journal of chemical physics 133 (16), 164113, 2010
252010
Phonon dispersions and Fermi surfaces nesting explaining the variety of charge ordering in titanium-oxypnictides superconductors
K Nakano, K Hongo, R Maezono
Scientific reports 6 (1), 1-10, 2016
232016
Stabilization Mechanism of the Tetragonal Structure in a Hydrothermally Synthesized BaTiO3 Nanocrystal
K Hongo, S Kurata, A Jomphoak, M Inada, K Hayashi, R Maezono
Inorganic chemistry 57 (9), 5413-5419, 2018
192018
Random number generators tested on quantum Monte Carlo simulations
K Hongo, R Maezono, K Miura
Journal of computational chemistry 31 (11), 2186-2194, 2010
192010
The influence of correlation on the interpretation of Hund’s multiplicity rule: A quantum Monte Carlo study
T Oyamada, K Hongo, Y Kawazoe, H Yasuhara
The Journal of chemical physics 125 (1), 014101, 2006
192006
Two‐Dimensional Perovskite Oxynitride K2LaTa2O6N with an H+/K+ Exchangeability in Aqueous Solution Forming a Stable Photocatalyst for Visible‐Light H2 Evolution
T Oshima, T Ichibha, K Oqmhula, K Hibino, H Mogi, S Yamashita, K Fujii, ...
Angewandte Chemie International Edition 59 (24), 9736-9743, 2020
182020
Method for the calculation of the Hamaker constants of organic materials by the Lifshitz macroscopic approach with density functional theory
H Takagishi, T Masuda, T Shimoda, R Maezono, K Hongo
The Journal of Physical Chemistry A 123 (40), 8726-8733, 2019
182019
First-Principles Study of Structural Transitions in LiNiO2 and High-Throughput Screening for Long Life Battery
T Yoshida, K Hongo, R Maezono
The Journal of Physical Chemistry C 123 (23), 14126-14131, 2019
182019
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