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HONGO, Kenta Associate Professor
Information Science, Sustainable Innovation, International Research Center for Materials Informatics (Excellent Core), Research Center for Exponential Biomedical DX (Neo Excellent Core), Research Center for Advanced Computing Infrastructure
◆Degrees
Ph.D. Tohoku University
◆Professional Experience
2017 - : Japan Advanced Institute of Science and Technology , Research Center for Advanced Computing Infrastructure , Associate Professor
2016 - 2020 : さきがけ研究領域「マテリアルズインフォ」 , JSTさきがけ研究員(兼務)
2016 - 2020 : 物質・材料研究機構 情報統合型物質・材料研究拠点 , 特別研究員（兼務）
2012 - 2017 : Japan Advanced Institute of Science and Technology , Information Science , Assistant Professor
2011 - 2012 : The Institute of Statistical Mathematics , Research and Development Center for Data Assimilation , Research Assistant Professor
2011 - 2011 : The Institute of Statistical Mathematics , Research and Development Center for Data Assimilation , Researcher
2009 - 2011 : Harvard University , Department of Chemistry and Chemical Biology , Postdoctral Fellowship for Research Abroad of Japan Society for the Promotion of Science
2007 - 2009 : Postdoctoral Researcher at Japan Advanced Institute of Science and Technology
2005 - 2007 : Postdoctral Researcher at Institute of Materials Research, Tohoku University
◆Specialties
Computational science
◆Research Keywords
Materials Informatics, Ab initio electronic structure calculations, Quantum Monte Carlo methods

■Publications

◆Published Papers
Facet-specific nitrogen vacancy engineering in BaMO2N (M = Ta, Nb) for enhanced electrochemical ammonia production: Insights from first-principles calculations
Santhanamoorthi Nachimuthu, Che-Chih Chu, Zhong-Lun Li, Kenta Hongo, Ryo Maezono, Yuji Masubuchi, Jyh-Chiang Jiang
Materials Today Catalysis, 11, 100125-100125, 2025
Two-step W and N co-doping in VO2: Synergistically reducing phase transition temperature while enhancing thermochromic performance
Yibei Xue, Lei Miao, Peng Song, Takuya Hasegawa, Ayahisa Okawa, Tohru Sekino, Ryo Maezono, Kenta Hongo, Shu Yin
Chemical Engineering Journal, 522, 167980-167980, 2025
Ab initio screening for BCS-type superconductivity in ThCr2Si2-type compounds
Tom Ichibha, Ryo Maezono, Kenta Hongo
Physica Scripta, 100, 8, 085969-085969, 2025
Prediction of superconductivity in Haeckelite compounds using first-principles calculations
Kaenat Hamidi, Mohammad Keivanloo, Mohammad Sandoghchi, Mohammad Reza Mohammadizadeh, Hannes Raebiger, Kenta Hongo, Ryo Maezono, Kaoru Ohno, Mohammad Khazaei
iScience, 28, 8, 113219-113219, 2025
Valence electron concentration-dependent stability of L1 2 , D023, and D022 ordered phases in high-entropy alloys
Hiroshi Mizuseki, Ryoji Sahara, Kenta Hongo
Computational Materials Science, 259, 114114-114114, 2025
◆Misc
Phase stability of layered pervskite oxyarsenides
東陽一, 長谷泉, 荻野拓, 岩佐祐希, 内村慶舟, 本郷研太, 前園涼
日本物理学会講演概要集(CD-ROM), 78, 1, -, 2023
First Principles Calculations of Superconducting Critical Temperature of ThCr$_2$Si$_2$-Type Structure
Gewinner Senderanto Sinaga, Keishu Utimula, Kousuke Nakano, Kenta Hongo, Ryo Maezono
-, 2019
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
Keishu Utimula, Kousuke Nakano, Genki I. Prayogo, Kenta Hongo, Ryo Maezono
-, 2019
CAPTURING THE STRUCTURAL FLEXIBILITY OF SINGLE-LAYER BETA-SHEET WITHIN ISOMORPHOUS CRYSTALS REVEALED BY COMPREHENSIVE STRUCTURE DETERMINATIONS
Koki Makabe, Hideki Fujiwara, Kenta Hongo, Yuki Hori, Norio Yoshida
PROTEIN SCIENCE, 28, 160-161, 2019
Computational approach to evaluation of Hamaker constants
Kenta Hongo, Ryo Maezono
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 255, -, 2018
◆Books
マテリアルズ・インフォマティクスによる材料開発と活用集
62-69, 技術情報協会, 2019
Practical diffusion Monte Carlo simulations for large noncovalent systems
分担執筆, ACS Division of Physical Chemistry, 2016
A Benchmark Quantum Monte Carlo Study of Molecular Crystal Polymorphism: A Challenge Case for Density-Functional Theory
分担執筆, Chapter 9, pp.101-117, ACS Division of Physical Chemistry, 2012
A Quantum Monte Carlo Study of The Ground State Chromium Dimer
分担執筆, Chapter 8, pp.91-99, ACS Division of Physical Chemistry, 2012
◆Conference Activities & Talks
Materials Modeling and Computation
The International Workshop on Frontier Materials Modeling and Comutation, 2025
JAISTスパコンを活用したデータ駆動型材料研究
令和7年度 第2回 超越バイオメディカルDX研究拠点 ネオ・エクセレントコアセミナー, JAISTイノベーションプラザ 2F シェアードオープンイノベーションルーム, 2025
複合アニオン化合物の計算材料科学とデータ科学
令和7年度「放射線科学とその応用」第2回研究会, 2025
次世代MIのための高精度第一原理計算技術
MI Conference2025, 2025
Data-Driven Materials Exploration: Integrating Machine Learning and Ab Initio Simulations
ACCMS-11 Scientific Program (The 11th General Conference of the Asian Consortium on Computational Materials Science), 2025

■Contributions to  Society

◆Academic Society Affiliations
Japan Society for Molecular Science, American Chemical Society, American Physical Society, The Physical Society of Japan