RESEARCH INTERESTS
The research interests in our group are mainly focus on exploring phase equilibria and phase transitions between liquids and solids, dynamics and structure of liquids, properties of crystalline and amorphous solids, and surface phenomena, with statistical mechanics, thermodynamics, and computer simulation as the "instrument". An infrastructure consists of hundreds of processors are running every second to support our exploration.
Topics which have been studied so far are:
- Structure and dynamics of water and aqueous solutions
- Thermodynamic stability of hydrogen-bonded network systems such as clathrate hydrate.
- Phase transitions and critical phenomena
- Bulk and inhomogeneous fluids
- Nucleation, crystallization, and fusion of water and in the aqueous solutions
- Fluids and solids in confined geometry
- Surface tension
- Hydrophobic effect.
CONFERENCES.
- 2016/9/13-15 第10回分子科学討論会 (神戸)
NEWS
- On the Occurrence of Clathrate Hydrates in Extreme Conditions: Dissociation Pressures and Occupancies at Cryogenic Temperatures with Application to Planetary Systems
Last update: December 18, 2020
We investigate the thermodynamic stability of clathrate hydrates at cryogenic temperatures from the 0 K limit to 200 K in a wide range of pressures, covering the thermodynamic conditions of interstellar ... - Cage occupancy and dissociation enthalpy of hydrocarbon hydrates
Last update: October 27, 2020
An elaborated statistical mechanical theory on clathrate hydrates is applied to exploration of their phase equilibria and dissociation enthalpies. The experimental dissociation pressures of methane, ethane ... - Molecular dynamics study of grain boundaries and triple junctions in ice
Last update: September 24, 2020
Our paper has been published. Molecular dynamics study of grain boundaries and triple junctions in ice T. Yagasaki, M. Matsumoto, and H. Tanaka, J. Chem. Phys. 153, 124502 (2020); DOI:10.10 ... - Lennard-Jones Parameters Determined to Reproduce the Solubility of NaCl and KCl in SPC/E, TIP3P, and TIP4P/2005 Water
Last update: June 25, 2020
Our paper has been published. Lennard-Jones Parameters Determined to Reproduce the Solubility of NaCl and KCl in SPC/E, TIP3P, and TIP4P/2005 Water T. Yagasaki, M. Matsumoto, and H. Ta ... - Atomic vibrational amplitudes and localization of phonons in ordered and disordered ices
Last update: March 5, 2020
Our paper has been published. On the role of intermolecular vibrational motions for ice polymorphs. II. Atomic vibrational amplitudes and localization of phonons in ordered and disordered ice ...
EVENTS
- Exhibition at Akihabara
Last update: March 8, 2016
RANDOM ACTIVITIES SHOT
