The mold integration method for the calculation of the crystal-fluid interfacial free energy from simulations

Computer simulation study of surface wave dynamics at the crystal-melt interface

(2014) Jorge Benet et al.   JOURNAL OF CHEMICAL PHYSICS

Crystal-liquid interfacial free energy via thermodynamic integration

(2014) Ronald Benjamin et al.   JOURNAL OF CHEMICAL PHYSICS

Freezing point and solid-liquid interfacial free energy of Stockmayer dipolar fluids: A molecular dynamics simulation study

(2013) Jun Wang et al.   JOURNAL OF CHEMICAL PHYSICS

On fluid-solid direct coexistence simulations: The pseudo-hard sphere model

(2013) Jorge R. Espinosa 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

Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules

(2012) J. Jover et al.   JOURNAL OF CHEMICAL PHYSICS

Ice Ih–Water Interfacial Free Energy of Simple Water Models with Full Electrostatic Interactions

(2012) Ruslan L. Davidchack et al.   Journal of Chemical Theory and Computation

Homogeneous Nucleation of Methane Hydrates: Unrealistic under Realistic Conditions

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

Equilibrium Fluid-Solid Coexistence of Hard Spheres

(2012) L. A. Fernández et al.   PHYSICAL REVIEW LETTERS

A general set of order parameters for molecular crystals

(2011) Erik E. Santiso et al.   JOURNAL OF CHEMICAL PHYSICS

Simulation of nucleation in almost hard-sphere colloids: The discrepancy between experiment and simulation persists

(2011) L. Filion et al.   JOURNAL OF CHEMICAL PHYSICS

The solid–liquid interface free-energy of Pb: comparison of theory and experiments

(2011) S Angioletti-Uberti   JOURNAL OF PHYSICS-CONDENSED MATTER

Hard spheres revisited: Accurate calculation of the solid–liquid interfacial free energy

(2010) Ruslan L. Davidchack   JOURNAL OF CHEMICAL PHYSICS

Solid-liquid interface free energy through metadynamics simulations

(2010) Stefano Angioletti-Uberti et al.   PHYSICAL REVIEW B

Computing absolute free energies of disordered structures by molecular simulation

(2009) T. Schilling et al.   JOURNAL OF CHEMICAL PHYSICS

Hard spheres: crystallization and glass formation

(2009) P. N. Pusey et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Determination of the melting point of hard spheres from direct coexistence simulation methods

(2008) Eva G. Noya et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate determination of crystal structures based on averaged local bond order parameters

(2008) Wolfgang Lechner et al.   JOURNAL OF CHEMICAL PHYSICS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

A phase diagram for jammed matter

(2008) Chaoming Song et al.   NATURE

Direct Calculation of Solid-Liquid Interfacial Free Energy for Molecular Systems: TIP4P Ice-Water Interface

(2008) Richard Handel et al.   PHYSICAL REVIEW LETTERS