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Osaka University: Osaka, JP

2020-10-01 to present
Employment
Source: Self-asserted source
Takuma Yagasaki

Works (50 of 59)

Items per page:
Page 1 of 2

On the phase behaviors of CH4–CO2 binary clathrate hydrates: Equilibrium with aqueous phase

The Journal of Chemical Physics
2024-12-07 | Journal article
DOI: 10.1063/5.0244386
Contributors: Hideki Tanaka; Masakazu Matsumoto; Takuma Yagasaki
Source: check_circle
Crossref

Stability mechanism of crystalline CO2 and Xe

The Journal of Chemical Physics
2024-08-28 | Journal article
DOI: 10.1063/5.0223879
Contributors: Hideki Tanaka; Masakazu Matsumoto; Takuma Yagasaki; Munetaka Takeuchi; Yoshihito Mori; Takumi Kono
Source: check_circle
Crossref

High Antifouling Performance of Weakly Hydrophilic Polymer Brushes: A Molecular Dynamics Study

Langmuir
2024-07-23 | Journal article
DOI: 10.1021/acs.langmuir.4c01365
Contributors: Takuma Yagasaki; Nobuyuki Matubayasi
Source: check_circle
Crossref

GenIce-core: Efficient algorithm for generation of hydrogen-disordered ice structures

The Journal of Chemical Physics
2024-03-07 | Journal article
DOI: 10.1063/5.0198056
Contributors: Masakazu Matsumoto; Takuma Yagasaki; Hideki Tanaka
Source: check_circle
Crossref

Cage occupancies of CH4, CO2, and Xe hydrates: Mean field theory and grandcanonical Monte Carlo simulations

The Journal of Chemical Physics
2024-01-28 | Journal article
DOI: 10.1063/5.0188679
Contributors: Hideki Tanaka; Masakazu Matsumoto; Takuma Yagasaki
Source: check_circle
Crossref

Efficiency and energy balance for substitution of CH4 in clathrate hydrates with CO2 under multiple-phase coexisting conditions

The Journal of Chemical Physics
2023-11-21 | Journal article
DOI: 10.1063/5.0179655
Contributors: Hideki Tanaka; Masakazu Matsumoto; Takuma Yagasaki
Source: check_circle
Crossref

Molecular Dynamics Study of the Antifouling Mechanism of Hydrophilic Polymer Brushes

Langmuir
2023-09-19 | Journal article
DOI: 10.1021/acs.langmuir.3c01552
Contributors: Takuma Yagasaki; Nobuyuki Matubayasi
Source: check_circle
Crossref

On the phase behaviors of CH4–CO2 binary clathrate hydrates: Two-phase and three-phase coexistences

The Journal of Chemical Physics
2023-06-14 | Journal article
DOI: 10.1063/5.0155143
Contributors: Hideki Tanaka; Masakazu Matsumoto; Takuma Yagasaki
Source: check_circle
Crossref

Molecular dynamics study of the interactions between a hydrophilic polymer brush on graphene and amino acid side chain analogues in water

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/D2CP03112D
Contributors: Takuma Yagasaki; Nobuyuki Matubayasi
Source: check_circle
Crossref

On the role of intermolecular vibrational motions for ice polymorphs. IV. Anisotropy in the thermal expansivity and the nonaffine deformation for ice IX and III

The Journal of Chemical Physics
2022-11-07 | Journal article
DOI: 10.1063/5.0123349
Contributors: Hideki Tanaka; Masakazu Matsumoto; Takuma Yagasaki
Source: check_circle
Crossref

Raman spectroscopy of isotopically pure and diluted high‐ and low‐density amorphous ices

Journal of Raman Spectroscopy
2022-10 | Journal article
DOI: 10.1002/jrs.6322
Part of ISSN: 0377-0486
Part of ISSN: 1097-4555
Contributors: Takuma Yagasaki; Senri Ishihara; Tetsuyuki Takayama; Miyuki Sakaguchi; Takuhiro Otosu; Takuma Yagasaki; Yoshiharu Suzuki; Shoichi Yamaguchi
Source: Self-asserted source
Takuma Yagasaki

Experimental and Theoretical Heterodyne-Detected Sum Frequency Generation Spectroscopy of Isotopically Pure and Diluted Water Surfaces

The Journal of Physical Chemistry Letters
2022-10-20 | Journal article
DOI: 10.1021/acs.jpclett.2c02533
Contributors: Shoichi Yamaguchi; Tetsuyuki Takayama; Yuki Goto; Takuhiro Otosu; Takuma Yagasaki
Source: check_circle
Crossref

Experimental and Theoretical Raman Spectroscopy of Isotopically Pure and Diluted Ice VI

The Journal of Physical Chemistry C
2022-10-13 | Journal article
DOI: 10.1021/acs.jpcc.2c05133
Contributors: Tetsuyuki Takayama; Kota Kishi; Takuhiro Otosu; Takuma Yagasaki; Shoichi Yamaguchi
Source: check_circle
Crossref

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

The Journal of Chemical Physics
2021-12-07 | Journal article
DOI: 10.1063/5.0068560
Contributors: Hideki Tanaka; Takuma Yagasaki; Masakazu Matsumoto
Source: check_circle
Crossref

On the anomalous homogeneity of hydrogen-disordered ice and its origin

The Journal of Chemical Physics
2021-10-28 | Journal article
DOI: 10.1063/5.0065215
Contributors: Masakazu Matsumoto; Takuma Yagasaki; Hideki Tanaka
Source: check_circle
Crossref

Crystallization of Polyethylene Brushes and Its Effect on Interactions with Water

Macromolecules
2021-09-28 | Journal article
DOI: 10.1021/acs.macromol.1c01145
Contributors: Takuma Yagasaki; Nobuyuki Matubayasi
Source: check_circle
Crossref

Novel Algorithm to Generate Hydrogen-Disordered Ice Structures

Journal of Chemical Information and Modeling
2021-06-28 | Journal article
DOI: 10.1021/acs.jcim.1c00440
Contributors: Masakazu Matsumoto; Takuma Yagasaki; Hideki Tanaka
Source: check_circle
Crossref

Cage occupancy and dissociation enthalpy of hydrocarbon hydrates

AIChE Journal
2021-03 | Journal article
DOI: 10.1002/aic.17009
Contributors: Hideki Tanaka; Takuma Yagasaki; Masakazu Matsumoto
Source: check_circle
Crossref

Formation of hot ice caused by carbon nanobrushes. II. Dependency on the radius of nanotubes

The Journal of Chemical Physics
2021-03-07 | Journal article
DOI: 10.1063/5.0044300
Contributors: Masakazu Matsumoto; Takuma Yagasaki; Hideki Tanaka
Source: check_circle
Crossref

On the Occurrence of Clathrate Hydrates in Extreme Conditions: Dissociation Pressures and Occupancies at Cryogenic Temperatures with Application to Planetary Systems

The Planetary Science Journal
2020-12-01 | Journal article
DOI: 10.3847/PSJ/abc3c0
Contributors: Hideki Tanaka; Takuma Yagasaki; Masakazu Matsumoto
Source: check_circle
Crossref

Molecular dynamics study of grain boundaries and triple junctions in ice

The Journal of Chemical Physics
2020-09-28 | Journal article
DOI: 10.1063/5.0021635
Contributors: Takuma Yagasaki; Masakazu Matsumoto; Hideki Tanaka
Source: check_circle
Crossref

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

Journal of Chemical Theory and Computation
2020-04-14 | Journal article
DOI: 10.1021/acs.jctc.9b00941
Contributors: Takuma Yagasaki; Masakazu Matsumoto; Hideki Tanaka
Source: check_circle
Crossref

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

The Journal of Chemical Physics
2020-02-21 | Journal article
DOI: 10.1063/1.5139697
Contributors: Hideki Tanaka; Takuma Yagasaki; Masakazu Matsumoto
Source: check_circle
Crossref

Molecular Dynamics Study of Kinetic Hydrate Inhibitors: The Optimal Inhibitor Size and Effect of Guest Species

The Journal of Physical Chemistry C
2019 | Journal article
DOI: 10.1021/acs.jpcc.8b09834
Source: Self-asserted source
Takuma Yagasaki

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

The Journal of Chemical Physics
2019-09-21 | Journal article
DOI: 10.1063/1.5119748
Contributors: Hideki Tanaka; Takuma Yagasaki; Masakazu Matsumoto
Source: check_circle
Crossref

Formation of hot ice caused by carbon nanobrushes

The Journal of Chemical Physics
2019-08-14 | Journal article
DOI: 10.1063/1.5111843
Contributors: Takuma Yagasaki; Masaru Yamasaki; Masakazu Matsumoto; Hideki Tanaka
Source: check_circle
Crossref

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

The Journal of Chemical Physics
2019-06-07 | Journal article
DOI: 10.1063/1.5096556
Contributors: Masakazu Matsumoto; Takuma Yagasaki; Hideki Tanaka
Source: check_circle
Crossref

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

The Journal of Chemical Physics
2019-06-07 | Journal article
DOI: 10.1063/1.5096429
Contributors: Takuma Yagasaki; Masakazu Matsumoto; Hideki Tanaka
Source: check_circle
Crossref

Negative Thermal Expansivity of Ice: Comparison of the Monatomic mW Model with the All-Atom TIP4P/2005 Water Model

Crystals
2019-05-14 | Journal article
DOI: 10.3390/cryst9050248
Contributors: Muhammad Mahfuzh Huda; Takuma Yagasaki; Masakazu Matsumoto; Hideki Tanaka
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

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

The Journal of Chemical Physics
2019-01-28 | Journal article
DOI: 10.1063/1.5083021
Contributors: Takahiro Matsui; Takuma Yagasaki; Masakazu Matsumoto; Hideki Tanaka
Source: check_circle
Crossref

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

The Journal of Physical Chemistry B
2018 | Journal article
DOI: 10.1021/acs.jpcb.7b10356
Source: Self-asserted source
Takuma Yagasaki

GenIce: Hydrogen-Disordered Ice Generator

Journal of Computational Chemistry
2018 | Journal article
DOI: 10.1002/jcc.25077
Source: Self-asserted source
Takuma Yagasaki

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

The Journal of Chemical Physics
2018 | Journal article
DOI: 10.1063/1.5044568
Source: Self-asserted source
Takuma Yagasaki

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

The Journal of Physical Chemistry B
2018 | Journal article
DOI: 10.1021/acs.jpcb.7b10581
Source: Self-asserted source
Takuma Yagasaki

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

The Journal of Physical Chemistry B
2018 | Journal article
DOI: 10.1021/acs.jpcb.8b04441
Source: Self-asserted source
Takuma Yagasaki

Communication: Hypothetical ultralow-density ice polymorphs

The Journal of Chemical Physics
2017 | Journal article
DOI: 10.1063/1.4994757
ARXIV:

http://dx.doi.org/10.1063/1.4994757

Source: Self-asserted source
Takuma Yagasaki

Phase Diagram of TIP4P/2005 Water at High Pressure

Langmuir
2017 | Journal article
DOI: 10.1021/acs.langmuir.7b01764
Source: Self-asserted source
Takuma Yagasaki

Anomalous thermodynamic properties of ice XVI and metastable hydrates

Phys. Rev. B
2016 | Journal article
DOI: 10.1103/PhysRevB.93.054118
Source: Self-asserted source
Takuma Yagasaki

Formation of Clathrate Hydrates of Water-Soluble Guest Molecules

The Journal of Physical Chemistry C
2016 | Journal article
DOI: 10.1021/acs.jpcc.6b06498
ARXIV:

http://dx.doi.org/10.1021/acs.jpcc.6b06498

Source: Self-asserted source
Takuma Yagasaki

Mechanism of Slow Crystal Growth of Tetrahydrofuran Clathrate Hydrate

The Journal of Physical Chemistry C
2016 | Journal article
DOI: 10.1021/acs.jpcc.5b10293
ARXIV:

http://dx.doi.org/10.1021/acs.jpcc.5b10293

Source: Self-asserted source
Takuma Yagasaki

Thermodynamic Stability of Ice II and Its Hydrogen-Disordered Counterpart: Role of Zero-Point Energy

The Journal of Physical Chemistry B
2016 | Journal article
DOI: 10.1021/acs.jpcb.5b09544
ARXIV:

http://dx.doi.org/10.1021/acs.jpcb.5b09544

Source: Self-asserted source
Takuma Yagasaki

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

Journal of the American Chemical Society
2015 | Journal article
DOI: 10.1021/jacs.5b07417
ARXIV:

http://dx.doi.org/10.1021/jacs.5b07417

Source: Self-asserted source
Takuma Yagasaki

Chiral Ordering in Supercooled Liquid Water and Amorphous Ice

Phys. Rev. Lett.
2015 | Journal article
DOI: 10.1103/PhysRevLett.115.197801
Source: Self-asserted source
Takuma Yagasaki

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

Phys. Chem. Chem. Phys.
2015 | Journal article
DOI: 10.1039/C5CP03008K
Source: Self-asserted source
Takuma Yagasaki

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

Phys. Rev. E
2015 | Journal article
DOI: 10.1103/PhysRevE.91.016302
Source: Self-asserted source
Takuma Yagasaki

Structure, dynamics and thermodynamic stability of high-pressure ices and clathrate hydrates

Molecular Simulation
2015 | Journal article
DOI: 10.1080/08927022.2014.951642
ARXIV: http://dx.doi.org/10.1080/08927022.2014.951642
Source: Self-asserted source
Takuma Yagasaki
grade
Preferred source (of 2)‎

Dissociation of Methane Hydrate in Aqueous NaCl Solutions

The Journal of Physical Chemistry B
2014 | Journal article
DOI: 10.1021/jp507978u
ARXIV:

http://dx.doi.org/10.1021/jp507978u

Source: Self-asserted source
Takuma Yagasaki

Effect of Bubble Formation on the Dissociation of Methane Hydrate in Water: A Molecular Dynamics Study

The Journal of Physical Chemistry B
2014 | Journal article
DOI: 10.1021/jp412692d
ARXIV:

http://dx.doi.org/10.1021/jp412692d

Source: Self-asserted source
Takuma Yagasaki

Spontaneous liquid-liquid phase separation of water

Phys. Rev. E
2014 | Journal article
DOI: 10.1103/PhysRevE.89.020301
Source: Self-asserted source
Takuma Yagasaki

Fluctuations and Relaxation Dynamics of Liquid Water Revealed by Linear and Nonlinear Spectroscopy

Annual Review of Physical Chemistry
2013 | Journal article
DOI: 10.1146/annurev-physchem-040412-110150
ARXIV:

https://doi.org/10.1146/annurev-physchem-040412-110150

Source: Self-asserted source
Takuma Yagasaki
Items per page:
Page 1 of 2

Peer review (51 reviews for 19 publications/grants)

Review activity for ACS applied materials & interfaces. (1)
Review activity for ACS earth and space chemistry. (1)
Review activity for ACS omega. (1)
Review activity for ACS sustainable chemistry & engineering. (7)
Review activity for Acta biomaterialia. (1)
Review activity for Computational and theoretical chemistry. (1)
Review activity for Crystal growth & design. (1)
Review activity for Energy & fuels. (1)
Review activity for Energy. (2)
Review activity for Journal of chemical & engineering data. (1)
Review activity for Journal of chemical physics. (5)
Review activity for Journal of chemical theory and computation : (1)
Review activity for Journal of molecular modeling. (1)
Review activity for Journal of physical chemistry. (11)
Review activity for Langmuir : (6)
Review activity for Separation and purification technology. (2)
Review activity for The journal of physical chemistry letters. (3)
Review activity for The journal of physical chemistry. (3)
Review activity for The journal of physical chemistry. (2)
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