Theoretical studies of dynamics
in complicated molecular systems

Molecular systems such as (supercooled) liquids and biomolecules show complicated fluctuations. We are theoretically investigating how these molecular systems fluctuate, how physical properties and biological functions are created, and how chemical reactions and conformational changes proceed under fluctuations.

Graduate student recruitment

We are seeking students to conduct theoretical studies on physical properties, functions and chemical reactions in condensed phase systems such as (supercooled) liquids and biomolecular systems, showing complicated fluctuations. Graduate students are eligible to receive RA support, and SRA is available for excellent grades.

Postdoc recruitment

We are working on development of theories of complicated dynamics, reaction- and conformational- dynamics, and functions in condensed phases such as (supercooled) liquids and biomolecular systems. When you are interested in theoretical studies of these challenging subjects, please contact me.

Recent publication

'Molecular mechanism of acceleration and retardation of collective orientation relaxation ...' by Moritsugu et al. was accepted in J. Phys. Chem. B (Dec. 4, 2020)

'Tautomeric effect of histidine on β-sheet formation of amyloid beta 1−40 ...' by Lee et al. was accepted in Biophys. J. (Aug. 18, 2020)

'Vibrational frequency map, vibrational spectroscopy, and intermolecular interaction' by Cho et al was accepted in Chem. Rev. (June 29, 2020)

'An alternative interpretation of the slow KaiB-KaiC binding of the cyanobacterial clock proteins' by Koda and Saito was accepted in Sci. Rep.(June 4, 2020)

'Dissecting the dynamics during enzyme catalysis: A case study of Pin1 peptidyl-prolyl isomerase' by Mori and Saito was accepted in J. Chem. Theory Comput.(April 8, 2020)

'Inverse Kohn–Sham Equations Derived from the Density Equation Theory' by Kato, Nobusada, and Saito was accepted in J. Phys. Soc. Japan (Jan. 28, 2020)

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