About us

Our group is advancing research on “enhancing the accuracy of materials property prediction and accelerating materials development through advances in computational science,” with the aim of improving the reliability of a wide range of structural and functional materials.
We integrate fundamental physical principles with computational methods spanning broad temporal and spatial scales, together with experiments and data science. Through this integrated approach, we seek to substantially enhance the predictive capability for materials properties while developing user-friendly and versatile developed software and databases, as well as establishing advanced theoretical frameworks for materials science.

■Members

Permanent Staff

• 

  Ryoji Sahara

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

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

  NIMS Now (2023) No.5
• 

  Ikuo Ohnuma

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

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

Fixed-term Staff

• 

  SAENGDEEJING, Arkapol

  Specially Appointed Research Fellow

• Takako Yamashita

  Specially Appointed Research Fellow

• 

  MANJANATH, Aaditya

  Postdoctoral Research Fellow

• 

  DAHULE, Rohit Sanjay

  Postdoctoral Research Fellow

Guest Researchers

Prof. Takayuki Narushima
Department of Materials Processing, Graduate School of Engineering, Tohoku University

Associate Prof. Kyosuke Ueda
Department of Materials Processing, Graduate School of Engineering, Tohoku University

Prof. Yoko Mitarai
Graduate School of Frontier Sciences, The University of Tokyo

Research Advisor

Prof. Emeritus Kaoru Ohno
Graduate School of Engineering, Yokohama National University

Office Staff

Eri Nakajima

■Research Overview

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.