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

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

Nanosecond X-ray diffraction of shock-compressed superionic water ice

(2019) Marius Millot et al.   NATURE

Pressure dependence of structural properties of ice VII: An ab initio molecular-dynamics study

(2018) Zdenek Futera et al.   JOURNAL OF CHEMICAL PHYSICS

First principles centroid molecular dynamics simulation of high pressure ices

(2018) Takashi Ikeda   JOURNAL OF CHEMICAL PHYSICS

Proton dynamics and the phase diagram of dense water ice

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

Observation of nuclear quantum effects and hydrogen bond symmetrisation in high pressure ice

(2018) Thomas Meier et al.   Nature Communications

Phase transitions of ordered ice in graphene nanocapillaries and carbon nanotubes

(2018) Muralikrishna Raju et al.   Scientific Reports

Compression Freezing Kinetics of Water to Ice VII

(2017) A. E. Gleason et al.   PHYSICAL REVIEW LETTERS

Self-diffusion of protons in H2O ice VII at high pressures: Anomaly around 10 GPa

(2016) Naoki Noguchi et al.   JOURNAL OF CHEMICAL PHYSICS

New Raman measurements for H2O ice VII in the range of 300 cm−1 to 4000 cm−1 at pressures up to 120 GPa

(2016) Chang-Sheng Zha et al.   JOURNAL OF CHEMICAL PHYSICS

Superionic-Superionic Phase Transitions in Body-Centered CubicH2OIce

(2016) Jean-Alexis Hernandez et al.   PHYSICAL REVIEW LETTERS

The ReaxFF reactive force-field: development, applications and future directions

(2016) Thomas P Senftle et al.   npj Computational Materials

Square ice in graphene nanocapillaries

(2015) G. Algara-Siller et al.   NATURE

AA-stacked bilayer square ice between graphene layers

(2015) M. Sobrino Fernandez Mario et al.   PHYSICAL REVIEW B

Diversity of transition pathways in the course of crystallization into ice VII

(2014) Kenji Mochizuki et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Yet another criticality of water

(2013) Kazuhiro Himoto et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Translational and Rotational Diffusion in Water in the Gigapascal Range

(2013) L. E. Bove et al.   PHYSICAL REVIEW LETTERS

Neutron diffraction observations of interstitial protons in dense ice

(2013) M. Guthrie et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Lattice- and network-structure in plastic ice

(2011) Kazuhiro Himoto et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A reactive molecular dynamics simulation of the silica-water interface

(2010) Joseph C. Fogarty et al.   JOURNAL OF CHEMICAL PHYSICS

Development of a ReaxFF Reactive Force Field for Glycine and Application to Solvent Effect and Tautomerization

(2010) Obaidur Rahaman et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Plastic crystal phases of simple water models

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

Tunneling and delocalization effects in hydrogen bonded systems: A study in position and momentum space

(2009) Joseph A. Morrone et al.   JOURNAL OF CHEMICAL PHYSICS

A plastic phase of water from computer simulation

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

In situ high-pressure x-ray diffraction study of H2O ice VII

(2008) Maddury Somayazulu et al.   JOURNAL OF CHEMICAL PHYSICS

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