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

Reaction Coordinates and Mechanistic Hypothesis Tests

(2016) Baron Peters   Annual Review of Physical Chemistry

Water: A Tale of Two Liquids

(2016) Paola Gallo et al.   CHEMICAL REVIEWS

Relationship between the line of density anomaly and the lines of melting, crystallization, cavitation, and liquid spinodal in coarse-grained water models

(2016) Jibao Lu et al.   JOURNAL OF CHEMICAL PHYSICS

Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water

(2016) Rakesh S. Singh et al.   JOURNAL OF CHEMICAL PHYSICS

Seeding approach to crystal nucleation

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

Simulations of Ice Nucleation by Model AgI Disks and Plates

(2016) Stephen A. Zielke et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ice–Water Interfacial Free Energy for the TIP4P, TIP4P/2005, TIP4P/Ice, and mW Models As Obtained from the Mold Integration Technique

(2016) Jorge R. Espinosa 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

What Determines the Ice Polymorph in Clouds?

(2016) Arpa Hudait et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Free energy contributions and structural characterization of stacking disordered ices

(2016) Arpa Hudait 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

Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity

(2015) Stephen J. Cox et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers

(2015) Stephen J. Cox et al.   JOURNAL OF CHEMICAL PHYSICS

Excess entropy and crystallization in Stillinger-Weber and Lennard-Jones fluids

(2015) Debdas Dhabal et al.   JOURNAL OF CHEMICAL PHYSICS

Water Freezing and Ice Melting

(2015) Edyta Małolepsza et al.   Journal of Chemical Theory and Computation

Common Features of Extraordinary Rate Theories

(2015) Baron Peters   JOURNAL OF PHYSICAL CHEMISTRY B

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

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

Structure of the Ice–Clathrate Interface

(2015) Andrew H. Nguyen et al.   Journal of Physical Chemistry C

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

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

The role of amorphous precursors in the crystallization of La and Nd carbonates

(2015) Beatriz Vallina et al.   Nanoscale

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

Crystallization and arrest mechanisms of model colloids

(2015) Thomas K. Haxton et al.   Soft Matter

Optimization of crystal nucleation close to a metastable fluid-fluid phase transition

(2015) Jan Wedekind et al.   Scientific Reports

A simple grand canonical approach to compute the vapor pressure of bulk and finite size systems

(2014) Matías H. Factorovich et al.   JOURNAL OF CHEMICAL PHYSICS

Homogeneous ice nucleation evaluated for several water models

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

Effects of surface interactions on heterogeneous ice nucleation for a monatomic water model

(2014) Aleks Reinhardt et al.   JOURNAL OF CHEMICAL PHYSICS

Note: Heterogeneous ice nucleation on silver-iodide-like surfaces

(2014) Guillaume Fraux et al.   JOURNAL OF CHEMICAL PHYSICS

Impact of surface nanostructure on ice nucleation

(2014) Xiang-Xiong Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Vapor deposition of water on graphitic surfaces: Formation of amorphous ice, bilayer ice, ice I, and liquid water

(2014) Laura Lupi et al.   JOURNAL OF CHEMICAL PHYSICS

Transmission Coefficients, Committors, and Solvent Coordinates in Ion-Pair Dissociation

(2014) Ryan Gotchy Mullen et al.   Journal of Chemical Theory and Computation

Equation of State for Supercooled Water at Pressures up to 400 MPa

(2014) Vincent Holten et al.   JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA

Does Hydrophilicity of Carbon Particles Improve Their Ice Nucleation Ability?

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

Reaction Coordinate of Incipient Methane Clathrate Hydrate Nucleation

(2014) Brian C. Barnes et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Identification of Clathrate Hydrates, Hexagonal Ice, Cubic Ice, and Liquid Water in Simulations: the CHILL+ Algorithm

(2014) Andrew H. Nguyen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Sorption Isotherms of Water in Nanopores: Relationship Between Hydropohobicity, Adsorption Pressure, and Hysteresis

(2014) Matías H. Factorovich et al.   Journal of Physical Chemistry C

Vapor Pressure of Water Nanodroplets

(2014) Matías H. Factorovich et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ice Crystallization in Ultrafine Water–Salt Aerosols: Nucleation, Ice-Solution Equilibrium, and Internal Structure

(2014) Arpa Hudait et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Heterogeneous Nucleation of Ice on Carbon Surfaces

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

Metastable liquid–liquid transition in a molecular model of water

(2014) Jeremy C. Palmer et al.   NATURE

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

(2014) J. A. Sellberg et al.   NATURE

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

Triplet Correlations Dominate the Transition from Simple to Tetrahedral Liquids

(2014) Murari Singh et al.   PHYSICAL REVIEW LETTERS

Solidification of a colloidal hard sphere like model system approaching and crossing the glass transition

(2014) Markus Franke et al.   Soft Matter

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

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

Low-density liquid water is the mother of ice: on the relation between mesostructure, thermodynamics and ice crystallization in solutions

(2013) Griffin Bullock et al.   FARADAY DISCUSSIONS

Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling

(2013) Aleks Reinhardt et al.   JOURNAL OF CHEMICAL PHYSICS

Ice nucleation by electric surface fields of varying range and geometry

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

Nature of the anomalies in the supercooled liquid state of the mW model of water

(2013) Vincent Holten et al.   JOURNAL OF CHEMICAL PHYSICS

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II

(2013) David T. Limmer et al.   JOURNAL OF CHEMICAL PHYSICS

Homogeneous Ice Nucleation at Moderate Supercooling from Molecular Simulation

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

What Is the Contact Angle of Water on Graphene?

(2013) Fereshte Taherian et al.   LANGMUIR

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

(2013) Tianshu Li et al.   Nature Communications

Inertial likelihood maximization for reaction coordinates with high transmission coefficients

(2012) Baron Peters   CHEMICAL PHYSICS LETTERS

Phase diagram of supercooled water confined to hydrophilic nanopores

(2012) David T. Limmer et al.   JOURNAL OF CHEMICAL PHYSICS

Free energy landscapes for homogeneous nucleation of ice for a monatomic water model

(2012) Aleks Reinhardt et al.   JOURNAL OF CHEMICAL PHYSICS

Liquid-liquid transition in ST2 water

(2012) Yang Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics Simulations of Ice Nucleation by Electric Fields

(2012) J. Y. Yan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Liquid-Ice Coexistence below the Melting Temperature for Water Confined in Hydrophilic and Hydrophobic Nanopores

(2012) Emily B. Moore et al.   Journal of Physical Chemistry C

Water and other tetrahedral liquids: order, anomalies and solvation

(2012) B Shadrack Jabes et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Crystallization, Melting, and Structure of Water Nanoparticles at Atmospherically Relevant Temperatures

(2012) Jessica C. Johnston et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The microscopic pathway to crystallization in supercooled liquids

(2012) John Russo et al.   Scientific Reports

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water

(2011) David T. Limmer et al.   JOURNAL OF CHEMICAL PHYSICS

Order parameters for the multistep crystallization of clathrate hydrates

(2011) Liam C. Jacobson et al.   JOURNAL OF CHEMICAL PHYSICS

Melting and Crystallization of Ice in Partially Filled Nanopores

(2011) Estefanía González Solveyra et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Heterogeneous Ice Nucleation Induced by Electric Fields

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

Can Amorphous Nuclei Grow Crystalline Clathrates? The Size and Crystallinity of Critical Clathrate Nuclei

(2011) Liam C. Jacobson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural transformation in supercooled water controls the crystallization rate of ice

(2011) Emily B. Moore et al.   NATURE

Homogeneous ice nucleation from supercooled water

(2011) Tianshu Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Is it cubic? Ice crystallization from deeply supercooled water

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

Role of the Prestructured Surface Cloud in Crystal Nucleation

(2011) Wolfgang Lechner et al.   PHYSICAL REVIEW LETTERS

The anomalously high melting temperature of bilayer ice

(2010) Noah Kastelowitz et al.   JOURNAL OF CHEMICAL PHYSICS

Ice crystallization in water’s “no-man’s land”

(2010) Emily B. Moore et al.   JOURNAL OF CHEMICAL PHYSICS

Widom line and the liquid–liquid critical point for the TIP4P/2005 water model

(2010) José L. F. Abascal et al.   JOURNAL OF CHEMICAL PHYSICS

Nucleation Pathways of Clathrate Hydrates: Effect of Guest Size and Solubility

(2010) Liam C. Jacobson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Methane−Water Model for Coarse-Grained Simulations of Solutions and Clathrate Hydrates

(2010) Liam C. Jacobson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Amorphous Precursors in the Nucleation of Clathrate Hydrates

(2010) Liam C. Jacobson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The two-step mechanism of nucleation of crystals in solution

(2010) Peter G. Vekilov   Nanoscale

Freezing, melting and structure of ice in a hydrophilic nanopore

(2010) Emily B. Moore et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Observation of two-step nucleation in methane hydrates

(2010) Jenel Vatamanu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Self-catalyzed growth of S layers via an amorphous-to-crystalline transition limited by folding kinetics

(2010) S. Chung et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Universal two-step crystallization of DNA-functionalized nanoparticles

(2010) Wei Dai et al.   Soft Matter

Nucleation of Crystals from Solution: Classical and Two-Step Models

(2009) Deniz Erdemir et al.   ACCOUNTS OF CHEMICAL RESEARCH

Nucleation via an unstable intermediate phase

(2009) Richard P. Sear   JOURNAL OF CHEMICAL PHYSICS

Growing correlation length in supercooled water

(2009) Emily B. Moore et al.   JOURNAL OF CHEMICAL PHYSICS

Thermodynamic Stability and Growth of Guest-Free Clathrate Hydrates: A Low-Density Crystal Phase of Water

(2009) Liam C. Jacobson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Self-Assembly-Induced Protein Crystallization

(2009) Hongjun Liu et al.   PHYSICAL REVIEW LETTERS

Experimental Evidence for Two-Step Nucleation in Colloidal Crystallization

(2009) J. R. Savage et al.   PHYSICAL REVIEW LETTERS

Biomimetic Model Systems for Investigating the Amorphous Precursor Pathway and Its Role in Biomineralization

(2008) Laurie B. Gower   CHEMICAL REVIEWS

Metadynamics simulations of ice nucleation and growth

(2008) D. Quigley et al.   JOURNAL OF CHEMICAL PHYSICS

Water Modeled As an Intermediate Element between Carbon and Silicon†

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

Path Sampling Calculation of Methane Diffusivity in Natural Gas Hydrates from a Water-Vacancy Assisted Mechanism

(2008) Baron Peters et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Water Confined in Nanotubes and between Graphene Sheets:  A First Principle Study

(2008) Giancarlo Cicero et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stable Prenucleation Calcium Carbonate Clusters

(2008) Denis Gebauer et al.   SCIENCE