Publications

Superstructure Optimization Methodology for Interpretable Reaction Kinetic Modeling with Limited Data

Computers & Chemical Engineering, 2026

Miyata, D., and Yoshio, N. "Superstructure Optimization Methodology for Interpretable Reaction Kinetic Modeling with Limited Data." Comput. Chem. Eng. (in preparation).

Visualization of the Sequence of Changes in the Full Wavenumber Range by Two-dimensional Correlation Spectroscopy

Chemical Physics Letters, 2023

Ban, K., Miyata, D. (contributed equally), Matsumoto, Y., Tahara, S., Takahashi, H., Morita, S., and Nakabayashi, T. "Visualization of the Sequence of Changes in the Full Wavenumber Range by Two-dimensional Correlation Spectroscopy." Chemical Physics Letters, 833, 140930 (2023).

Automatic Determination of the Sequential Order of Dynamic Data and Its Application to Vibrational Spectroscopy

Journal of Chemical Information and Modeling, 2020

Miyata, D., Nakabayashi, T., and Morita, S. "Automatic Determination of the Sequential Order of Dynamic Data and Its Application to Vibrational Spectroscopy." Journal of Chemical Information and Modeling, 60(10), 5070-5079 (2020).

Practical Computation of FFT-based Generalized Two-dimensional Correlation Spectroscopy

Analytical Sciences, 2020

He, M., Miyata, D., Nakabayashi, T., and Morita, S. "Practical Computation of FFT-based Generalized Two-dimensional Correlation Spectroscopy." Analytical Sciences, 36(7), 885-887 (2020).

Recent Progress in Bio-Raman Research

Laser Research, 2019

Miyata, D., Nakabayashi, T., and Morita, S. "Recent Progress in Bio-Raman Research." Laser Research, 47(2), 85-88 (2019).

Application of IR Spectra of Two Successive Isotope Labeled Residues to the Evaluation of Dihedral Angles of Polyproline II Structure

Chemical Physics Letters, 2019

Miyata, D., Hiramatsu, H., and Nakabayashi, T. "Application of IR Spectra of Two Successive Isotope Labeled Residues to the Evaluation of Dihedral Angles of Polyproline II Structure." Chemical Physics Letters, 718, 27-31 (2019).

Evaluation of Dihedral Angles of Peptides Using IR Bands of Two Successive Isotope Labeled Residues

Bulletin of the Chemical Society of Japan, 2019

Okabe, H., Miyata, D., Nakabayashi, T., and Hiramatsu, H. "Evaluation of Dihedral Angles of Peptides Using IR Bands of Two Successive Isotope Labeled Residues." Bulletin of the Chemical Society of Japan, 92(1), 80-86 (2019). Selected Paper.