Researchers

KITOH Hirotaka

Faculty	Department of Energy and Materials / Graduate School of Science and Engineering
Researchmap	https://researchmap.jp/kitoh_nishioka

Apr. 2022 - Today , Kindai University Faculty of Science and Engineering Department of Energy and Materials Associate Professor
Apr. 2022 - Mar. 2025 , Kobe University Graduate School of System Informatics 客員准教授
Oct. 2020 - Mar. 2022 , Kobe University Graduate School of System Informatics Department of Computational Science 特命准教授
Oct. 2017 - Mar. 2021 , 科学技術振興機構戦略研究推進部さきがけ専任研究者
Apr. 2019 - Sep. 2020 , University of Tsukuba Center for Computational Sciences Researcher
Apr. 2016 - Sep. 2017 , University of Tsukuba Center for Computational Sciences 研究員
Apr. 2013 - Mar. 2016 , Nagoya University Graduate School of Science, Division of Material Science 博士研究員
Apr. 2009 - Mar. 2013 , Kyoto University Graduate School of Science 特定研究員
Apr. 2006 - Mar. 2009 , Meijo University Graduate School of Environmental and Human Sciences 博士研究員

Organic Solar Cell, Machine Learned Inter-atomic Potential, Olfactory, Quasi-classical theory, 一重項分裂, 有機半導体, 光合成, 量子生物学, 励起エネルギー移動, 電子移動

Semiconducting Mixed-Valence Metal-Organic Framework with CuI/CuIII Based on Diethyldithiocarbamate Ligands.
Tomoki Nishiyama; Ryo Matsushima; Shogo Nakajima; Kaho Hattori; Yuki Nakahashi; Takeshi Shimizu; Hirotaka Kitoh-Nishioka; Senku Tanaka; Wataru Kosaka; Hitoshi Miyasaka; Hirofumi Yoshikawa; Takashi Okubo
Inorganic chemistry 12, Jun. 2026
Light harvesting mechanism of the multi-pigment reaction center with three chlorophyll species adapted to both visible and far-red light
Wataru Shimooka; Hirotaka Kitoh-Nishioka; Shigeru Itoh; Akihiro Kimura
Photosynthesis Research 164 (1) , 8-, 28, Jan. 2026 , Refereed
A Structure-Based Approach for Predicting Odor Similarity of Molecules via Docking Simulations with Human Olfactory Receptors
Hirotada Kaneshiro; Masakazu Sato; Airi Tanaka; Shuya Nakata; Yoshiko Aihara; Hirotaka Kitoh-Nishioka; Yoshiharu Mori; Shigenori Tanaka
ACS Omega 10 (35) , 39933-39945, 22, Aug. 2025 , Refereed

Recent Advances of the Fragment Molecular Orbital Method: Enhanced Performance and Applicability , Hirotaka Kitoh-Nishioka; Ryuma Sato; Yasuteru Shigeta; Koji Ando , Linear Combination of Molecular Orbitals of Fragments (FMO-LCMO) Method: Its Application to Charge Transfer Studies, Pages 391-405 , Springer , 5, Jan. 2021
Recent Advances of the Fragment Molecular Orbital Method: Enhanced Performance and Applicability , Hirotaka Kitoh-Nishioka; Hiroaki Umeda; Yasuteru Shigeta , Open-Architecture Program of Fragment Molecular Orbital Method for Massive Parallel Computing (OpenFMO) with GPU Acceleration, Pages 77-90 , Springer , 5, Jan. 2021
Chemical science of π-electron systems , Hirotaka Kitoh-Nishioka; Koji Ando , Chapter 39 "Electron Transfer Pathway Analysis in Bacterial Photosynthetic Reaction Center" (pp. 658-673) , Springer , 2015

[P-13] 多様な光捕集機構解析に向けた近似手法の拡張：アシドバクテリアI型反応中心への応用 , 矢津田直人; 鬼頭宏任; 木村明洋 , 第33 回「光合成セミナー2026」 , 27, Jun. 2026
[P-30] 光化学系I のA0結合サイト対する分子ドッキングシミュレーション , 立岡晃太郎; 伊藤繁; 木村明洋; 鬼頭宏任 , 第33回「光合成セミナー2026」 , 27, Jun. 2026
DFTB Calculations of Fullerene Adsorption on a Tungsten Surface under External Electric Fields , Hiroki Funata; Ravi Kumar; Hirotaka Kitoh-Nishioka; Hirofumi Yanagisawa , The 28th Annual Meeting of JSTC, 2026 , 20, May. 2026

Studies on Carrier Transport Properties by Impedance Spectroscopy in Organic Thin-Film Solar Cells Using p-Type Semiconductor PM6 , Azusa Miwa; Naohiro Tkahashi; Hirotaka Kitoh-Nishioka; Senku Tanaka; Takashi Okubo , Annual Reports by Science and Technology Research Institute, Kindai University , 36 , 19 , 26 , Oct. 2025
Benchmarking of Quasi-Classical Mapping Approach to Quantum Dissipative System , 鬼頭宏任; 梅垣俊仁; 西山陽大; 田中成典 , 日本物理学会講演概要集(CD-ROM) , 78 , 1 , 2023
Computational Chemistry Study on Charge and Exciton Transfer Dynamics in Organic Semiconductors , Hirotaka Kitoh-Nishioka , IEICE Technical Report OME2022-25(2022-11) , 122 , 249 , 1 , 6 , 4, Nov. 2022

日本学術振興会, 科学研究費助成事業, 強電場下・大規模分子システムのための第一原理計算手法の確立 , 近畿大学
生体医歯工学共同研究拠点, 生体医歯工学共同研究, Observation of single bio-molecules using a graphite nanorod
Japan Society for the Promotion of Science, Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (C), Theoretical analysis of primary processes in diverse photosynthetic reaction centers , Nagoya University