Computational Structural Materials Group

about us

We are responsible for improving the accuracy of prediction of material properties in the field of computational materials science and accelerating development of materials. By combining the fundamental laws of physics, simulation methods over a wide range of time and spatial scales, experiments, and data science, we aim to dramatically improve the ability of prediction properties in materials using DX, and clarify a mechanisms and accelerating materials development.

Members

  • Ryoji Sahara
    Ryoji Sahara

    Materials Evaluation Field, Research Center for Structural MaterialsGroup Leader, Computational Structural Materials Group

    Keyword : computational materials science, structural materials, monte carlo method, phase-field method, all-electron GW calculation, oxidation

  • Ikuo Ohnuma
    Ikuo Ohnuma

    Materials Evaluation Field, Research Center for Structural MaterialsChief Researcher, Computational Structural Materials Group

    Keyword : computational materials science, structural materials, monte carlo method, phase-field method, all-electron GW calculation, oxidation

To investigate various stages of phase transformation and micorstructure formation in materials from atomic to macroscopic point of view, we perform a variety of simulation techniques such as ab initio, molecular dynamics (MD), Monte Carlo (MC) method, cluster variation method, CALPHAD method, and phase-field method, having strong collaboration with experiment.