Our research interests are molecular structure, transport, spectroscopy at phase interfaces by using methods of computational chemistry, such as ab initio calculation and molecular dynamics simulation. We welcome to collaborate with experimental research.

Research on molecular structure and vibrational spectroscopy at liquid interfaces

・Structure and vibrational spectroscopy at pure water and ice surfaces.
・Ionic distribution at aqueous interfaces.
・Molecular modeling of methyl group.
・Structure, spectroscopy, transport at liquid/liquid interfaces.

Representative paper :
T. Ishiyama, T. Imamura, and A. Morita,
Theoretical Studies of Structures and Vibrational Sum Frequency Generation Spectra at Aqueous Interfaces,
Chemical Reviews, in press.

Research on kinetic boundary conditions at vapor/liquid interface, and its application to bubble dynamics.

Representative paper :
T. Ishiyama, S. Fujikawa, T. Kurz, and W. Lauterborn,
Nonequilibrium Kinetic Boundary Condition at the Vapor-Liquid Interface of Argon,
Physical Review E, Vol.88, p.042406 (16pages) (2013).