🇯🇵 日本語 | 🇬🇧 English
🇯🇵 日本語 | 🇬🇧 English
  • ■Key words
  • ■Research Fields

    • ■Key words

    Inorganic materials, Halide crystals, Scintillators, , Linux, python, First-principles calculations, Quantum espresso, VASP,Radiation, Neutron detection


    If you are interested in our research, first-principles calculations, or applications we have developed,
    please contact us.


    ■Research Fields

    ・Synthesis of Halide Single Crystals

    I mainly fabricate halide crystals by the Bridgman-Stockberger method or vapor phase transport.

    Fig. Grown crystals

    ・Evaluation of optical properties

    ・Evaluation of radiation properties

    ・Analysis of inorganic materials by first-principles calculations.

    ・Creation of electronic structure database by first-principles calculations.

    I have developed a subroutine that automatically performs structural relaxation calculations~scf calculations~nscf calculations~band calculations, and we have a system that automatically performs calculations over multiple files for 24 hours. In addition, we have a system in which calculation results are made public on the cloud so that results can be shared among groups studying similar materials.

    Fig. Overview of subroutine

    ・Development of X-ray diffraction data analysis application

    I have developed an application for peak search of powder X-ray diffraction patterns. It can peak search from more than 500,000 cif files in Crystallography Open Database (https://www.crystallography.net/cod/) as a database, and can peak search from more than 500,000 cif files. It can also be linked to VESTA. It also includes a function to convert Rigaku's XRD data, .ras files, to csv.

    Fig. Developed XRD data analysis application

    Fig. Peak Search

    ・Development of optical characterization applications

    ・The others programs

    PDF merger : https://stramlit-pdf-5xpxuwhoxdktwyrravksrx.streamlit.app/


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