Dielectric properties of ice VII under the influence of time-alternating external electric fields

Water Breakup at Fe2O3–Hematite/Water Interfaces: Influence of External Electric Fields from Nonequilibrium Ab Initio Molecular Dynamics

(2021) Zdenek Futera et al.   Journal of Physical Chemistry Letters

Possibility of realizing superionic ice VII in external electric fields of planetary bodies

(2020) Zdenek Futera et al.   Science Advances

Advances in the experimental exploration of water’s phase diagram

(2019) Christoph G. Salzmann   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

Experimental evidence for superionic water ice using shock compression

(2018) Marius Millot et al.   Nature Physics

Review of Saturn’s icy moons following the Cassini mission

(2018) Michele K Dougherty et al.   REPORTS ON PROGRESS IN PHYSICS

Ice-VII inclusions in diamonds: Evidence for aqueous fluid in Earth’s deep mantle

(2018) O. Tschauner et al.   SCIENCE

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

(2018) Thomas Meier et al.   Nature Communications

Communication: Influence of external static and alternating electric fields on water from long-time non-equilibrium ab initio molecular dynamics

(2017) Zdenek Futera et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrational Modes of Hydrogen Hydrates: A First-Principles Molecular Dynamics and Raman Spectra Study

(2017) Zdenek Futera et al.   Journal of Physical Chemistry C

How Cubic Can Ice Be?

(2017) Andrew J. Amaya et al.   Journal of Physical Chemistry Letters

Perspective: How good is DFT for water?

(2016) Michael J. Gillan et al.   JOURNAL OF CHEMICAL PHYSICS

Superionic-Superionic Phase Transitions in Body-Centered CubicH2OIce

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

Ocean worlds in the outer solar system

(2016) F. Nimmo et al.   JOURNAL OF GEOPHYSICAL RESEARCH-PLANETS

Structural Properties of Liquid Water and Ice Ih from Ab-Initio Molecular Dynamics with a Non-Local Correlation Functional

(2015) Niall English   Energies

Perspectives on external electric fields in molecular simulation: progress, prospects and challenges

(2015) Niall J. English et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The phase diagram of high-pressure superionic ice

(2015) Jiming Sun et al.   Nature Communications

Effect of Electric Field Orientation on the Mechanical and Electrical Properties of Water Ices: An Ab-initio Study

(2014) Giuseppe Cassone et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure, Dynamics, and Spectral Diffusion of Water from First-Principles Molecular Dynamics

(2014) Arindam Bankura et al.   Journal of Physical Chemistry C

Quantum-driven phase transition in ice described via an efficient Langevin approach

(2014) Yael Bronstein et al.   PHYSICAL REVIEW B

Electrical conductivity of ice VII

(2014) Taku Okada et al.   Scientific Reports

Room temperature compressibility and diffusivity of liquid water from first principles

(2013) Fabiano Corsetti et al.   JOURNAL OF CHEMICAL PHYSICS

Dipolar response and hydrogen-bond kinetics in liquid water in square-wave time-varying electric fields

(2013) Riccardo Reale et al.   MOLECULAR PHYSICS

Experimental evidence of superionic conduction in H2O ice

(2012) Emiko Sugimura et al.   JOURNAL OF CHEMICAL PHYSICS

Functional Assessment for Predicting Charge-Transfer Excitations of Dyes in Complexed State: A Study of Triphenylamine–Donor Dyes on Titania for Dye-Sensitized Solar Cells

(2012) Pratibha Dev et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ab InitioMolecular Dynamics Study of Dissociation of Water under an Electric Field

(2012) A. Marco Saitta et al.   PHYSICAL REVIEW LETTERS

New indication for a dichotomy in the interior structure of Uranus and Neptune from the application of modified shape and rotation data

(2012) N. Nettelmann et al.   PLANETARY AND SPACE SCIENCE

The Interaction of Radio-Frequency Fields with Dielectric Materials at Macroscopic to Mesoscopic Scales

(2012) James Baker-Jarvis et al.   JOURNAL OF RESEARCH OF THE NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY

Density, structure, and dynamics of water: The effect of van der Waals interactions

(2011) Jue Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Structural and Vibrational Properties of Liquid Water from van der Waals Density Functionals

(2011) Cui Zhang et al.   Journal of Chemical Theory and Computation

Phase diagram of H2O: Thermodynamic functions of the phase transitions of high-pressure ices

(2010) A. N. Dunaeva et al.   SOLAR SYSTEM RESEARCH

Static and Dynamical Properties of Liquid Water from First Principles by a Novel Car−Parrinello-like Approach

(2009) Thomas D. Kühne et al.   Journal of Chemical Theory and Computation

Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes

(2009) Guillermo Román-Pérez et al.   PHYSICAL REVIEW LETTERS