Our research begins with materials design supported by our intuition and computational science.  Selected candidate materials are synthesized and evaluated by ourselves. Although determining hydrogen positions is inherently challenging, we employ neutron scattering and optical spectroscopy, and infer hydrogen configurations by comparing experimental results with stable hydrogen-defect structures predicted from first-principles calculations.

For dynamic properties such as hydrogen diffusion, we comprehensively evaluate diffusion coefficients by combining dynamic secondary ion mass spectrometry, pulsed-field-gradient NMR (PFG-NMR), and molecular dynamics simulations based on machine-learning potentials. For particularly demanding analyses—such as determining atomic arrangements and compositions includeing hydrogen at the outermost surface, and elucidating catalytic reaction mechanisms—we utilize independently developed ion beam analysis apparatus and reaction-pathway exploration simulations.

By tightly integrating experiments and computations, we have established a research framework that enables smooth coordination among materials design, synthesis, characterization, and analysis, while maintaining strong feedback from analysis back to design.