Welcome to IFCS group website

Interface Computational Science (IFCS) group,
Center for Green Research on Energy and Environmental Materials (GREEN),
National Institute for Materials Science (NIMS)
was originally established in October 2007.
The group belongs to MANA, NIMS as well.

The IFCS group is working on theoretical/computational/data-driven AI researches on microscopic mechanisms of energy and environmental issues associated with battery, solar cell and catalyst. We are discussing novel theories/computational methods/data-driven AI techniques for those problems as well as update experimental findings in physics, chemistry and materials science. In particular, we focus on quantitative simulations of electrochemical (redox) phenomena at solid/liquid and solid/solid interfaces on the atomic and electronic scales, and mainly deal with transition metal oxide and semiconductor electrodes as well as water and organic solvents. Characteristics of the IFCS group are as follows:

  • Cutting-edge computational & informatics researches on microscopic mechanisms in a variety of batteries (Li-ion, Na-ion, Mg-ion & all-solid-state etc.)
  • Cutting-edge computational researches on electrochemical (redox) reactions at solid/liquid and solid/solid interfaces (electrochemistry, ionics, surface science, semiconductor physics etc.)
  • Computational researches on catalysts, photocatalysts and solar cells (toward a unified interface science)
  • Novel theory/computational method/data-driven AI technique for the above issues (Frequent coding of programs)
  • Deep collaboration with leading experimentalists to understand the underlying physics/chemistry.
  • Solving really important problems and competing with the leading researchers in the world (Many foreign guests and collaborators)
  • English language for all group activities (international environment)
  • Fostering young post-doc and ph.D students (for their good research careers in the future)
  • Topics

    ▶2021.06.23 Theoretical paper by Mr. Sasaki (Ph. D student in TITech Hitosugi-Tateyama Gr.) was published in J. Mater. Chem. A.
    ▶2021.05.24 Jalem's joint research paper in JST-ALCA and Fugaku Battery Project about Solid Electrolyte Prediction by Machine Learning was published in Chem. Mater.
    ▶2021.05.21 Tian's paper (JST-ALCA & Interface IONICS) was published in J. Mater. Chem. A.
    ▶2021.04.09 Youn's paper (ESICB & Fugaku BFC) was published in a Nature partner journal, npj Comput. Mater.
    ▶2021.03.05 Gao's paper (Interface IONICS & Fugaku BFC) was published in ACS Appl. Mater. Interfaces.
    ▶2021.02.25 Ishikawa's paper (JST-PRESTO) was published in ACS Catal. and JST-PRESTO delivered a press release.
    ▶2021.02.15 Collaboration paper with Prof. Yamaguchi (TITech/JST-PRESTO) was published in ACS Appl. Energy Mater. and TITech delivered a press release.
    ▶2020.12.09 Collaboration paper with Prof. Komaba & Prof. Kubota (TUS/ESICB) was published in Angew. Chem. Int. Ed.
    ▶2020.11.23 Tian's paper (Interface IONICS) was published in ACS Appl. Mater. Interfaces.
    ▶2020.09.29 Jalem's paper (JST-ALCA & Interface IONICS) was published in Chem. Mater.
    ▶2020.08.31 Collaboration paper with Prof. Atsuo Yamada & Prof. Yuki Yamada (Univ. Tokyo) was published in ACS Appl. Mater. Interfaces.

    News

    Page top