Updated on 2021/04/15

写真a

 
FUJINAMI, Mikito
 
Affiliation
Faculty of Science and Engineering, School of Advanced Science and Engineering
Job title
Assistant Professor(without tenure)

Degree

  • 2020.03   早稲田大学   博士(理学)

 

Papers

  • 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  2020.07

    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  2020.06

    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  2020.05

    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  2019.11

    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  2019.08

    DOI

  • Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

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

    The Journal of Chemical Physics   148 ( 24 ) 241705 - 241705  2018.06

    DOI

  • Development of Reaction Prediction Scheme Based on Machine Learning with Quantum Chemical Descriptors

    Mikito FUJINAMI, Junji SEINO, Hiromi NAKAI

    Journal of Computer Chemistry, Japan   15 ( 3 ) 63 - 65  2016

    DOI

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