Ice formation on kaolinite: Insights from molecular dynamics simulations

A Blue-Sky Approach to Understanding Cloud Formation

(2016) Ben Slater et al.   BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY

Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations

(2016) Gabriele C. Sosso et al.   CHEMICAL REVIEWS

Interactions of Water with Mineral Dust Aerosol: Water Adsorption, Hygroscopicity, Cloud Condensation, and Ice Nucleation

(2016) Mingjin Tang et al.   CHEMICAL REVIEWS

Seeding approach to crystal nucleation

(2016) Jorge R. Espinosa et al.   JOURNAL OF CHEMICAL PHYSICS

Pre-ordering of interfacial water in the pathway of heterogeneous ice nucleation does not lead to a two-step crystallization mechanism

(2016) Laura Lupi et al.   JOURNAL OF CHEMICAL PHYSICS

Toward Accurate Adsorption Energetics on Clay Surfaces

(2016) Andrea Zen et al.   Journal of Physical Chemistry C

Heterogeneous Ice Nucleation Controlled by the Coupling of Surface Crystallinity and Surface Hydrophilicity

(2016) Yuanfei Bi et al.   Journal of Physical Chemistry C

Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite

(2016) Gabriele C. Sosso et al.   Journal of Physical Chemistry Letters

Computational investigation of structure, dynamics and nucleation kinetics of a family of modified Stillinger–Weber model fluids in bulk and free-standing thin films

(2016) Melisa M. Gianetti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Competition between ices Ih and Ic in homogeneous water freezing

(2015) Alberto Zaragoza et al.   JOURNAL OF CHEMICAL PHYSICS

Simulations of Ice Nucleation by Kaolinite (001) with Rigid and Flexible Surfaces

(2015) Stephen A. Zielke et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Is Ice Nucleation from Supercooled Water Insensitive to Surface Roughness?

(2015) James M. Campbell et al.   Journal of Physical Chemistry C

Ice Nucleation Properties of Oxidized Carbon Nanomaterials

(2015) Thomas F. Whale et al.   Journal of Physical Chemistry Letters

The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity

(2015) Martin Fitzner et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stacking disorder in ice I

(2015) Tamsin L. Malkin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ice nucleation on carbon surface supports the classical theory for heterogeneous nucleation

(2015) Raffaela Cabriolu et al.   PHYSICAL REVIEW E

Direct calculation of ice homogeneous nucleation rate for a molecular model of water

(2015) Amir Haji-Akbari et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Anharmonic Nuclear Motion and the Relative Stability of Hexagonal and Cubic ice

(2015) Edgar A. Engel et al.   Physical Review X

On the radiative properties of ice clouds: Light scattering, remote sensing, and radiation parameterization

(2014) Ping Yang et al.   ADVANCES IN ATMOSPHERIC SCIENCES

The effect of substrate on thermodynamic and kinetic anisotropies in atomic thin films

(2014) Amir Haji-Akbari et al.   JOURNAL OF CHEMICAL PHYSICS

Homogeneous ice nucleation evaluated for several water models

(2014) J. R. Espinosa et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Thermodynamics of stacking disorder in ice nuclei

(2014) D. Quigley   JOURNAL OF CHEMICAL PHYSICS

Does Hydrophilicity of Carbon Particles Improve Their Ice Nucleation Ability?

(2014) Laura Lupi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Probing Methane Hydrate Nucleation through the Forward Flux Sampling Method

(2014) Yuanfei Bi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Molecular Mechanism of Ice Nucleation on Model AgI Surfaces

(2014) Stephen A. Zielke et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Heterogeneous Nucleation of Ice on Carbon Surfaces

(2014) Laura Lupi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature

(2014) J. A. Sellberg et al.   NATURE

Zeroing in on ice

(2014) Ben Slater et al.   NATURE MATERIALS

Suppression of sub-surface freezing in free-standing thin films of a coarse-grained model of water

(2014) Amir Haji-Akbari et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals

(2013) Stephen J. Cox et al.   FARADAY DISCUSSIONS

Ice nucleation by electric surface fields of varying range and geometry

(2013) J. Y. Yan et al.   JOURNAL OF CHEMICAL PHYSICS

Viscosity of Nanoconfined Water between Hydroxyl Basal Surfaces of Kaolinite: Classical Simulation Results

(2013) Neil R. Haria et al.   Journal of Physical Chemistry C

Homogeneous Ice Nucleation at Moderate Supercooling from Molecular Simulation

(2013) E. Sanz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Exploring the Mechanisms of Ice Nucleation on Kaolinite: From Deposition Nucleation to Condensation Freezing

(2013) André Welti et al.   JOURNAL OF THE ATMOSPHERIC SCIENCES

Comparative assessment of the ELBA coarse-grained model for water

(2013) Mario Orsi   MOLECULAR PHYSICS

Ten things we need to know about ice and snow

(2013) Thorsten Bartels-Rausch   NATURE

Ice nucleation at the nanoscale probes no man’s land of water

(2013) Tianshu Li et al.   Nature Communications

Ice nucleation by particles immersed in supercooled cloud droplets

(2012) B. J. Murray et al.   CHEMICAL SOCIETY REVIEWS

Impacts of chemical reactivity on ice nucleation of kaolinite particles: A case study of levoglucosan and sulfuric acid

(2012) Yutaka Tobo et al.   GEOPHYSICAL RESEARCH LETTERS

Ice structures, patterns, and processes: A view across the icefields

(2012) Thorsten Bartels-Rausch et al.   REVIEWS OF MODERN PHYSICS

Kinetic aspects of the thermostatted growth of ice from supercooled water in simulations

(2011) Volker C. Weiss et al.   JOURNAL OF CHEMICAL PHYSICS

Heterogeneous Ice Nucleation Induced by Electric Fields

(2011) J. Y. Yan et al.   Journal of Physical Chemistry Letters

Is it cubic? Ice crystallization from deeply supercooled water

(2011) Emily B. Moore et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ring statistics analysis of topological networks: New approach and application to amorphous GeS2 and SiO2 systems

(2010) Sébastien Le Roux et al.   COMPUTATIONAL MATERIALS SCIENCE

Crystal nucleation of hard spheres using molecular dynamics, umbrella sampling, and forward flux sampling: A comparison of simulation techniques

(2010) L. Filion et al.   JOURNAL OF CHEMICAL PHYSICS

Crystal lattice imaging of the silica and alumina faces of kaolinite using atomic force microscopy

(2010) Vishal Gupta et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Recent advances in transition path sampling: accurate reaction coordinates, likelihood maximisation and diffusive barrier-crossing dynamics

(2010) Baron Peters   MOLECULAR SIMULATION

Heterogeneous nucleation of ice particles on glassy aerosols under cirrus conditions

(2010) Benjamin J. Murray et al.   Nature Geoscience

Forward flux sampling for rare event simulations

(2009) Rosalind J Allen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Chemical accuracy for the van der Waals density functional

(2009) Jiří Klimeš et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Solution Conformation of C-Linked Antifreeze Glycoprotein Analogues and Modulation of Ice Recrystallization

(2009) Roger Y. Tam et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The kaolinite (001) polar basal plane

(2009) Xiao Liang Hu et al.   SURFACE SCIENCE

Water Modeled As an Intermediate Element between Carbon and Silicon†

(2008) Valeria Molinero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Formation and annealing of cubic ice: II. Kinetic study

(2008) T C Hansen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

(2008) Alessandro Laio et al.   REPORTS ON PROGRESS IN PHYSICS