Research keywords (3)：
Materials Informatics
, Ab initio electronic structure calculations
, Quantum Monte Carlo methods
Research theme for competitive and other funds (13)：
2024 - 2027 Development and synthesis demonstration of quantum materials exploration methods based on phase formation prediction
2022 - 2025 準安定な酸水酸化物結晶の創製と水酸基化学への展開
2021 - 2025 水分散系における高分子の移流集積界面分割モデルの設計
2021 - 2024 Ab initio DMC-phonon calculations applied to layered materials
2019 - 2024 Automated prediction system of Hamaker constants based on molecular theory and simulations associated with data science
2019 - 2021 Ab initio thermodynamics assessment based on data-driven structure modelling
2016 - 2021 Development of new mixed-anion compounds: synthesis and establishment of design rules
2016 - 2020 ベイズ事後分布を探索重みに活用した物質構探査の予測性向上
2017 - 2019 Computational study of contact angles in wettability based on nano-modelings of local structures at interfaces
2015 - 2019 ベイズ統計と量子化学を基盤とする新薬候補分子の探索
2016 - 2018 多軸自在継手を用いた可変構造体に関する研究
2015 - 2017 Computational approaches to microscopic control of wettability in liquid processes for fabricating semiconductors
2006 - 2008 Theoretical Design of Nanoporous Materials for Hydrogen Storage Materials
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Papers (105)：
Sugali Pavan Kumar Naik, Sala Alberto, Kunimitsu Kataoka, Yoshito Gotoh, Tom Ichibha, Kenta Hongo, Ryo Maezono, Taichiro Nishio, Hiraku Ogino. Single crystal growth and physical properties of La, Co doped (Eu,Ca)FeAs2. Journal of Crystal Growth. 2024. 628. 127547:1-127547:5
Peng Song, Artur P. Durajski, Zhufeng Hou, Abdul Ghaffar, Rohit Dahule, Radosław Szczȩśniak, Kenta Hongo, Ryo Maezono. (La,Th)H10: Potential High-Tc (242 K) Superconductors Stabilized Thermodynamically below 200 GPa. Journal of Physical Chemistry C. 2024. 128. 6. 2656-2665
Taisei Hangai, Takuya Hasegawa, Jian Xu, Takayuki Nakanishi, Takashi Takeda, Kosuke Nakano, Kenta Hongo, Ryo Maezono, Tomoyo Goto, Yasushi Sato, et al. Key Role of Metal-to-Metal Charge Transfer Transition between Mo6+ and Bi3+ for Enhancement in NIR Luminescence of Gd2MoO6:Bi,Yb Nanophosphor. The Journal of Physical Chemistry C. 2024. 128. 8. 3351-3360
Takuya Yasunaga, Makoto Kobayashi, Kenji Oqmhula, Huan Qi, Tom Ichibha, Kenta Hongo, Shunsuke Yamamoto, Ryo Maezono, Masaya Mitsuishi, Minoru Osada, et al. Multiemission of Ce3+ from a Single Crystallographic Site Induced by Disordering of Ions. Inorganic Chemistry. 2024. 63. 2. 1288-1295
Tom Ichibha, Yutaka Nikaido, M. Chandler Bennett, Jaron T. Krogel, Kenta Hongo, Ryo Maezono, Fernando A. Reboredo. Locality error free effective core potentials for 3d transition metal elements developed for the diffusion Monte Carlo method. The Journal of Chemical Physics. 2023. 159. 16. 164114
Keishu Utimula, Kousuke Nakano, Genki I. Prayogo, Kenta Hongo, Ryo Maezono. SHRY:a $\underline{\rm S}$uite for $\underline{\rm H}$igh-th$\underline{\rm r}$oughput generation of models with atomic substitutions implemented by p$\underline{\rm y}$thon. 2019
Koki Makabe, Hideki Fujiwara, Kenta Hongo, Yuki Hori, Norio Yoshida. CAPTURING THE STRUCTURAL FLEXIBILITY OF SINGLE-LAYER BETA-SHEET WITHIN ISOMORPHOUS CRYSTALS REVEALED BY COMPREHENSIVE STRUCTURE DETERMINATIONS. PROTEIN SCIENCE. 2019. 28. 160-161
Kenta Hongo, Ryo Maezono. Computational approach to evaluation of Hamaker constants. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2018. 255
Practical diffusion Monte Carlo simulations for large noncovalent systems
ACS Division of Physical Chemistry 2016
A Benchmark Quantum Monte Carlo Study of Molecular Crystal Polymorphism: A Challenge Case for Density-Functional Theory
ACS Division of Physical Chemistry 2012
A Quantum Monte Carlo Study of The Ground State Chromium Dimer
ACS Division of Physical Chemistry 2012
2012/04 - 2017/09 Japan Advanced Institute of Science and Technology Information Science Assistant Professor
2011/06 - 2012/03 The Institute of Statistical Mathematics Research and Development Center for Data Assimilation Research Assistant Professor
2011/04 - 2011/05 The Institute of Statistical Mathematics Research and Development Center for Data Assimilation Researcher
2009/04 - 2011/03 Harvard University Department of Chemistry and Chemical Biology Postdoctral Fellowship for Research Abroad of Japan Society for the Promotion of Science
2007/06 - 2009/03 Postdoctoral Researcher at Japan Advanced Institute of Science and Technology
2005/04 - 2007/05 Postdoctral Researcher at Institute of Materials Research, Tohoku University
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Association Membership(s) (4)：
Japan Society for Molecular Science
, American Chemical Society
, American Physical Society
, The Physical Society of Japan
