Solid–liquid interfacial free energy of ice Ih, ice Ic, and ice 0 within a mono-atomic model of water via the capillary wave method

Seeding approach to crystal nucleation

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

Nucleation barrier reconstruction via the seeding method in a lattice model with competing nucleation pathways

(2016) Yuri Lifanov et al.   JOURNAL OF CHEMICAL PHYSICS

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

Free energy contributions and structural characterization of stacking disordered ices

(2016) Arpa Hudait et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Interfacial Free Energy as the Key to the Pressure-Induced Deceleration of Ice Nucleation

(2016) Jorge R. Espinosa et al.   PHYSICAL REVIEW LETTERS

Solid-liquid interface free energies of pure bcc metals and B2 phases

(2015) S. R. Wilson 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

Interfacial free energy of the NaCl crystal-melt interface from capillary wave fluctuations

(2015) Jorge Benet 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

Stacking disorder in ice I

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

Solid-liquid interfacial free energy out of equilibrium

(2015) Bingqing Cheng et al.   PHYSICAL REVIEW B

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

Communication: On the stability of ice 0, ice i, and Ih

(2014) D. Quigley 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

Communication: Thermodynamics of stacking disorder in ice nuclei

(2014) D. Quigley   JOURNAL OF CHEMICAL PHYSICS

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

Heterogeneous Nucleation of Ice on Carbon Surfaces

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

New metastable form of ice and its role in the homogeneous crystallization of water

(2014) John Russo et al.   NATURE MATERIALS

A study of the ice–water interface using the TIP4P/2005 water model

(2014) Jorge Benet et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab initiocalculation of anisotropic interfacial excess free energies

(2014) A. van de Walle et al.   PHYSICAL REVIEW B

Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling

(2013) Aleks Reinhardt 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

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

Structure of ice crystallized from supercooled water

(2012) T. L. Malkin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Capillary wave analysis of rough solid-liquid interfaces in nickel

(2011) R. E. Rozas et al.   EPL

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

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

Challenges in molecular simulation of homogeneous ice nucleation

(2008) Andrey V Brukhno et al.   JOURNAL OF PHYSICS-CONDENSED MATTER