On the Different Faces of the Supercritical Phase of Water at a Near-Critical Temperature: Pressure-Induced Structural Transitions Ranging from a Gaslike Fluid to a Plastic Crystal Polymorph

Structure and dynamics of water plastic crystals from computer simulations

(2021) Andrés Henao et al.   JOURNAL OF CHEMICAL PHYSICS

Pronounced structural crossover in water at supercritical pressures

(2020) Cillian Cockrell et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Structure and phase behavior of high-density ice from molecular-dynamics simulations with the ReaxFF potential

(2020) Yuji Adachi et al.   JOURNAL OF CHEMICAL PHYSICS

DL_MONTE: a multipurpose code for Monte Carlo simulation

(2019) A. V. Brukhno et al.   MOLECULAR SIMULATION

The effect of polymorphism on the structural, dynamic and dielectric properties of plastic crystal water: A molecular dynamics simulation perspective

(2019) Ioannis Skarmoutsos et al.   JOURNAL OF CHEMICAL PHYSICS

Visualization of supercritical water pseudo-boiling at Widom line crossover

(2019) Florentina Maxim et al.   Nature Communications

Supercritical water anomalies in the vicinity of the Widom line

(2019) Konstantinos Karalis et al.   Scientific Reports

Electrical conductivity, ion pairing, and ion self-diffusion in aqueous NaCl solutions at elevated temperatures and pressures

(2019) Tae Jun Yoon et al.   JOURNAL OF CHEMICAL PHYSICS

Proton dynamics and the phase diagram of dense water ice

(2018) J.-A. Hernandez et al.   JOURNAL OF CHEMICAL PHYSICS

Comment on “Behavior of Supercritical Fluids across the ‘Frenkel Line’”

(2018) V. V. Brazhkin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Reply to “Comment on ‘Behavior of Supercritical Fluids across the Frenkel Line’”

(2018) T. Bryk et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Widom Delta of Supercritical Gas–Liquid Coexistence

(2018) Min Young Ha et al.   Journal of Physical Chemistry Letters

Behavior of Supercritical Fluids across the “Frenkel Line”

(2017) T. Bryk et al.   Journal of Physical Chemistry Letters

Local structural fluctuations, hydrogen bonding and structural transitions in supercritical water

(2017) Ioannis Skarmoutsos et al.   JOURNAL OF SUPERCRITICAL FLUIDS

Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations

(2016) Miguel A. Caro et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular simulations of supercritical fluid systems

(2016) John M. Stubbs   JOURNAL OF SUPERCRITICAL FLUIDS

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

Frenkel line and solubility maximum in supercritical fluids

(2015) C. Yang et al.   PHYSICAL REVIEW E

The Frenkel Line: a direct experimental evidence for the new thermodynamic boundary

(2015) Dima Bolmatov et al.   Scientific Reports

Dynamical crossover line in supercritical water

(2015) Yu. D. Fomin et al.   Scientific Reports

Monte Carlo calculation of the thermodynamic properties of water

(2014) A. V. Teplukhin   JOURNAL OF STRUCTURAL CHEMISTRY

Widom line and dynamical crossovers as routes to understand supercritical water

(2014) P. Gallo et al.   Nature Communications

Understanding water’s anomalies with locally favoured structures

(2014) John Russo et al.   Nature Communications

Water's non-tetrahedral side

(2013) Richard H. Henchman et al.   FARADAY DISCUSSIONS

“Liquid-Gas” Transition in the Supercritical Region: Fundamental Changes in the Particle Dynamics

(2013) V. V. Brazhkin et al.   PHYSICAL REVIEW LETTERS

A closer look at supercritical water

(2013) G. Galli et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Thermodynamic behaviour of supercritical matter

(2013) Dima Bolmatov et al.   Nature Communications

Dynamics and Thermodynamics beyond the critical point

(2013) F. A. Gorelli et al.   Scientific Reports

Diffusion coefficient and shear viscosity of rigid water models

(2012) Sami Tazi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Two liquid states of matter: A dynamic line on a phase diagram

(2012) V. V. Brazhkin et al.   PHYSICAL REVIEW E

Density dependence of hydrogen bonding and the translational-orientational structural order in supercritical water: A molecular dynamics study

(2011) Haibo Ma et al.   JOURNAL OF CHEMICAL PHYSICS

Widom Line for the Liquid–Gas Transition in Lennard-Jones System

(2011) V. V. Brazhkin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of the local hydrogen bonding network on the reorientational and translational dynamics in supercritical water

(2010) Ioannis Skarmoutsos et al.   JOURNAL OF CHEMICAL PHYSICS

Two-Phase Thermodynamic Model for Efficient and Accurate Absolute Entropy of Water from Molecular Dynamics Simulations

(2010) Shiang-Tai Lin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Going supercritical

(2010) Paul F. McMillan et al.   Nature Physics

The Widom line as the crossover between liquid-like and gas-like behaviour in supercritical fluids

(2010) G. G. Simeoni et al.   Nature Physics

Plastic crystal phases of simple water models

(2009) J. L. Aragones et al.   JOURNAL OF CHEMICAL PHYSICS

The Effect of Intermolecular Interactions on Local Density Inhomogeneities and Related Dynamics in Pure Supercritical Fluids. A Comparative Molecular Dynamics Simulation Study

(2009) Ioannis Skarmoutsos et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A tetrahedral entropy for water

(2009) Pradeep Kumar et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

H2O: another ice phase and its melting curve

(2008) Beate Schwager et al.   HIGH PRESSURE RESEARCH

A plastic phase of water from computer simulation

(2008) Yoshio Takii et al.   JOURNAL OF CHEMICAL PHYSICS

On the Molecular Mechanism of Water Reorientation

(2008) Damien Laage et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase

(2008) J. L. Aragones et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS