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.
We are also seeking students to conduct theoretical studies on physical properties, functions and chemical reactions in condensed phase systems. Graduate students are eligible to receive RA support, and SRA is available for excellent grades.
'Development of Molecular Dynamics ...'
by Zhu, Higashi, and Saito is published in J. Chem. Theory Comput. (Dec., 2024)
'Flat-Bottom Elastic Network Model ...'
by Koda and Saito is published in J. Chem. Theory Comput. (Aug., 2024)
'Unraveling the dynamic slowdown in supercooled water: ...'
by Saito is published in J. Chem. Phys. (May, 2024)
'Locating transition states by a variational reaction path optimization ...'
by Koda and Saito is published in J. Chem. Theory Comput. (Feb., 2024)