藤波 美起登 (フジナミ ミキト)

写真a

所属

理工学術院 先進理工学部

職名

助教

学位 【 表示 / 非表示

  • 2020年03月   早稲田大学   博士(理学)

 

論文 【 表示 / 非表示

  • Solvent Selection Scheme Using Machine Learning Based on Physicochemical Description of Solvent Molecules: Application to Cyclic Organometallic Reaction

    Mikito Fujinami, Hiroki Maekawara, Ryota Isshiki, Junji Seino, Junichiro Yamaguchi, Hiromi Nakai

    Bulletin of the Chemical Society of Japan   93 ( 7 ) 841 - 845  2020年07月

    DOI

  • Orbital-free density functional theory calculation applying semi-local machine-learned kinetic energy density functional and kinetic potential

    Mikito Fujinami, Ryo Kageyama, Junji Seino, Yasuhiro Ikabata, Hiromi Nakai

    Chemical Physics Letters   748   137358 - 137358  2020年06月

    DOI

  • Quantum Chemical Reaction Prediction Method Based on Machine Learning

    Mikito Fujinami, Junji Seino, Hiromi Nakai

    Bulletin of the Chemical Society of Japan   93 ( 5 ) 685 - 693  2020年05月

    DOI

  • Semi-local machine-learned kinetic energy density functional demonstrating smooth potential energy curves

    Junji Seino, Ryo Kageyama, Mikito Fujinami, Yasuhiro Ikabata, Hiromi Nakai

    Chemical Physics Letters   734   136732 - 136732  2019年11月

    DOI

  • Virtual Reaction Condition Optimization based on Machine Learning for a Small Number of Experiments in High-dimensional Continuous and Discrete Variables

    Mikito Fujinami, Junji Seino, Takumi Nukazawa, Shintaro Ishida, Takeaki Iwamoto, Hiromi Nakai

    Chemistry Letters   48 ( 8 ) 961 - 964  2019年08月

    DOI

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