List of works - Takuma Yagasaki

A Bayesian approach for identification of ice Ih, ice Ic, high density, and low density liquid water with a torsional order parameter

scientific article published on 01 June 2019

A novel method for analyzing energy relaxation in condensed phases using nonequilibrium molecular dynamics simulations: application to the energy relaxation of intermolecular motions in liquid water

scientific article published on 01 May 2011

A theoretical study on anomalous temperature dependence of pKw of water

scientific article published on 01 April 2005

Adsorption Mechanism of Inhibitor and Guest Molecules on the Surface of Gas Hydrates

scientific article published on 11 September 2015

Adsorption of Kinetic Hydrate Inhibitors on Growing Surfaces: A Molecular Dynamics Study

scientific article published on 26 December 2017

Chiral Ordering in Supercooled Liquid Water and Amorphous Ice

scientific article published on 05 November 2015

Communication: Hypothetical ultralow-density ice polymorphs.

scientific article published in September 2017

Dissociation of methane hydrate in aqueous NaCl solutions

scientific article published on 30 September 2014

Effect of bubble formation on the dissociation of methane hydrate in water: a molecular dynamics study

scientific article published on 06 February 2014

Effects of nonadditive interactions on ion solvation at the water/vapor interface: a molecular dynamics study

scientific article published on 15 November 2010

Effects of thermodynamic inhibitors on the dissociation of methane hydrate: a molecular dynamics study.

scientific article published in December 2015

Energy relaxation of intermolecular motions in supercooled water and ice: A molecular dynamics study ⬇️

scientific article published on December 28, 2011

Fluctuations and relaxation dynamics of liquid water revealed by linear and nonlinear spectroscopy.

scientific article published on 05 December 2012

GenIce: Hydrogen-Disordered Ice Generator.

scientific article published on 12 October 2017

Lennard-Jones Parameters Determined to Reproduce the Solubility of NaCl and KCl in SPC/E, TIP3P, and TIP4P/2005 Water

scientific article published on 01 April 2020

Liquid-liquid separation of aqueous solutions: A molecular dynamics study

scientific article published on 01 June 2019

Molecular dynamics study of grain boundaries and triple junctions in ice

scientific article published on 01 September 2020

On the Thermodynamic Stability of Clathrate Hydrates VI: Complete Phase Diagram.

scientific article

On the phase behaviors of hydrocarbon and noble gas clathrate hydrates: Dissociation pressures, phase diagram, occupancies, and equilibrium with aqueous solution

scientific article published on 01 August 2018

On the role of intermolecular vibrational motions for ice polymorphs I: Volumetric properties of crystalline and amorphous ices

scientific article published on 01 September 2019

On the role of intermolecular vibrational motions for ice polymorphs. II. Atomic vibrational amplitudes and localization of phonons in ordered and disordered ices

scientific article published on 01 February 2020

On the role of intermolecular vibrational motions for ice polymorphs. III. Mode characteristics associated with negative thermal expansion

scientific article published in 2021

Phase Diagram of TIP4P/2005 Water at High Pressure.

scientific article published on 10 August 2017

Phase Diagrams of TIP4P/2005, SPC/E, and TIP5P Water at High Pressure

scientific article published on 27 July 2018

Phase diagram of ice polymorphs under negative pressure considering the limits of mechanical stability

scientific article published on 01 January 2019

Reply to "Comment on 'Spontaneous liquid-liquid phase separation of water' ".

scientific article published on 23 January 2015

Roles of the ether oxygen in hydration of tetrahydrofuran studied by IR, NMR, and DFT calculation methods