Clathrate structure-type recognition: Application to hydrate nucleation and crystallisation

Perspectives on molecular simulation of clathrate hydrates: Progress, prospects and challenges

(2015) Niall J. English et al.   CHEMICAL ENGINEERING SCIENCE

Two-component order parameter for quantifying clathrate hydrate nucleation and growth

(2014) Brian C. Barnes et al.   JOURNAL OF CHEMICAL PHYSICS

Massively parallel molecular-dynamics simulation of ice crystallisation and melting: The roles of system size, ensemble, and electrostatics

(2014) Niall J. English   JOURNAL OF CHEMICAL PHYSICS

Massively parallel molecular dynamics simulation of formation of clathrate-hydrate precursors at planar water-methane interfaces: Insights into heterogeneous nucleation

(2014) Niall J. English et al.   JOURNAL OF CHEMICAL PHYSICS

Probing Methane Hydrate Nucleation through the Forward Flux Sampling Method

(2014) Yuanfei Bi 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

Methane Clathrate Hydrate Nucleation Mechanism by Advanced Molecular Simulations

(2014) Marco Lauricella et al.   Journal of Physical Chemistry C

Nucleation of Gas Hydrates within Constant Energy Systems

(2013) Shuai Liang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Voronoi Tessellation Analysis of Clathrate Hydrates

(2012) Somendra N. Chakraborty et al.   Journal of Physical Chemistry C

Homogeneous Nucleation of Methane Hydrate in Microsecond Molecular Dynamics Simulations

(2012) Sapna Sarupria et al.   Journal of Physical Chemistry Letters

Homogeneous Nucleation of Methane Hydrates: Unrealistic under Realistic Conditions

(2012) Brandon C. Knott et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Order parameters for the multistep crystallization of clathrate hydrates

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

Dynamical Properties of Hydrogen Sulphide Motion in its Clathrate Hydrate from Ab Initio and Classical Isobaric−Isothermal Molecular Dynamics

(2011) Niall J. English et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Methane Hydrate Nucleation Rates from Molecular Dynamics Simulations: Effects of Aqueous Methane Concentration, Interfacial Curvature, and System Size

(2011) Matthew R. Walsh et al.   Journal of Physical Chemistry C

Combining Rare Events Techniques: Phase Change in Si Nanoparticles

(2011) Sergio Orlandini et al.   JOURNAL OF STATISTICAL PHYSICS

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

The cages, dynamics, and structuring of incipient methane clathrate hydrates

(2011) Matthew R. Walsh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Using the face-saturated incomplete cage analysis to quantify the cage compositions and cage linking structures of amorphous phase hydrates

(2011) Guang-Jun Guo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Exploring nucleation of H2S hydrates

(2011) Shuai Liang et al.   Chemical Science

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

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

Crystal Growth Simulations of H2S Hydrate

(2010) Shuai Liang 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

Observation of two-step nucleation in methane hydrates

(2010) Jenel Vatamanu et al.   PHYSICAL CHEMISTRY 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

Can the dodecahedral water cluster naturally form in methane aqueous solutions? A molecular dynamics study on the hydrate nucleation mechanisms

(2008) Guang-Jun Guo et al.   JOURNAL OF CHEMICAL PHYSICS

Heterogeneous Crystal Growth of Methane Hydrate on Its sII [001] Crystallographic Face

(2008) Jenel Vatamanu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Gas hydrate nucleation and cage formation at a water/methane interface

(2008) Robert W. Hawtin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS