Fujinami Mikito

フジナミミキト | Fujinami Mikito

Affiliation and department：
Job title： Junior Researcher

Research field (2)： Computational science , Basic physical chemistry

Research keywords (4)： Machine Learning , Cheminformatics , Computational Chemistry , Theoretical Chemistry

Research theme for competitive and other funds (4)：

2024 - 2026 有機金属反応のためのインタラクティブな反応設計システムの開発
2022 - 2024 有機金属錯体触媒に対する量子化学計算データベースの構築と物理化学的記述子の探索
2020 - 2022 Development of Molecular Structure Search Method and Automated Parameter Construction Scheme Based on Machine Learning
2018 - 2020 量子化学計算と機械学習を用いた均一系有機金属錯体反応の予測と反応支配因子の可視化

Papers (10)：

Ryosuke Sasaki, Mikito Fujinami, Hiromi Nakai. Comprehensive image dataset for enhancing object detection in chemical experiments. Data in Brief. 2024
Masaya FUJIWARA, Mikito FUJINAMI, Mohamed S. H. SALEM, Shinobu TAKIZAWA, Hiromi NAKAI. Theoretical Study on the Relationship between Circular Dichroism and Circularly Polarized Luminescence in Oxaza[7]dehydrohelicene Derivatives. Journal of Computer Chemistry, Japan. 2024
Ryosuke SASAKI, Mikito FUJINAMI, Hiromi NAKAI. Construction of Image Datasets for Chemical Experiments and Numerical Assessment of Object Detection Methods. Journal of Computer Chemistry, Japan. 2022
Mikito Fujinami, Hiroki Maekawara, Ryota Isshiki, Junji Seino, Junichiro Yamaguchi, Hiromi Nakai. Solvent Selection Scheme Using Machine Learning Based on Physicochemical Description of Solvent Molecules: Application to Cyclic Organometallic Reaction. Bulletin of the Chemical Society of Japan. 2020. 93. 7. 841-845
Mikito Fujinami, Ryo Kageyama, Junji Seino, Yasuhiro Ikabata, Hiromi Nakai. Orbital-free density functional theory calculation applying semi-local machine-learned kinetic energy density functional and kinetic potential. Chemical Physics Letters. 2020. 748. 137358-137358

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MISC (19)：

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Books (3)：

Lectures and oral presentations (54)：

密度汎関数強束縛法を用いた色素増感太陽電池用有機色素のハイスループットスクリーニング
(第18回分子科学討論会 2024)
高い円偏光発光特性を有するoxaza[7]dehydrohelicene誘導体の機械学習を用いた探索(2):S1安定構造の計算と学習に基づく探索
(日本コンピュータ化学会2024年春季年会 2024)
量子化学計算と機械学習を用いたhelicene類似円偏光発光分子の探索
(第26回理論化学討論会 2024)
Machine learning-assisted screening of organic molecules with high circular polarized luminescence property
(International Joint Symposium 2023 on Synthetic Organic Chemistry ~ISDigiTOS-2, ICAMS-3, & CREST-OS-FRIR~ 2023)
汎用原子レベルシミュレータMatlantisのフラグメント分子軌道法への適用
(2023年日本コンピュータ化学会秋季年会 2023)

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Education (3)：

2017 - 2020 Waseda University Graduate School of Advanced Science and Engineering Department of Chemistry and Biochemistry
2016 - 2017 Waseda University Graduate School of Advanced Science and Engineering Department of Chemistry and Biochemistry
2012 - 2016 Waseda University School of Advanced Science and Engineering Department of Chemistry and Biochemistry

Professional career (1)：

Work history (3)：

2023/04 - 現在 Waseda University Research Institute for Science and Engineering Junior Researcher
2020/04 - 2023/03 Waseda University School of Advanced Science and Engineering Assisstant Professor
2018/04 - 2020/03 Japan Society for the Promotion of Science JSPS Research Fellowship for Young Scientists DC2

Awards (6)：

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Association Membership(s) (4)：

分子科学会 , 理論化学会 , 有機合成化学協会 , 日本化学会

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