Nucleation of urea from aqueous solution: Structure, critical size, and rate

On the calculation of solubilities via direct coexistence simulations: Investigation of NaCl aqueous solutions and Lennard-Jones binary mixtures

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

Insight into the nucleation of urea crystals from the melt

(2015) Federico Giberti et al.   CHEMICAL ENGINEERING SCIENCE

Urea homogeneous nucleation mechanism is solvent dependent

(2015) Matteo Salvalaglio et al.   FARADAY DISCUSSIONS

The crystal-fluid interfacial free energy and nucleation rate of NaCl from different simulation methods

(2015) Jorge R. Espinosa et al.   JOURNAL OF CHEMICAL PHYSICS

Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates

(2015) Nils E. R. Zimmermann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Classical nucleation theory of homogeneous freezing of water: thermodynamic and kinetic parameters

(2015) Luisa Ickes et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Urea homogeneous nucleation mechanism is solvent dependent

(2015) Matteo Salvalaglio et al.   FARADAY DISCUSSIONS

Metadynamics studies of crystal nucleation

(2015) Federico Giberti et al.   IUCrJ

Homogeneous ice nucleation evaluated for several water models

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

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

(2014) John Russo 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

Molecular-dynamics simulations of urea nucleation from aqueous solution

(2014) Matteo Salvalaglio et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Controlling and Predicting Crystal Shapes: The Case of Urea

(2013) Matteo Salvalaglio et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

(2013) Jorge R. Espinosa et al.   JOURNAL OF CHEMICAL PHYSICS

Transient Polymorphism in NaCl

(2013) Federico Giberti et al.   Journal of Chemical Theory and Computation

Homogeneous Ice Nucleation at Moderate Supercooling from Molecular Simulation

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

Homogeneous Nucleation of Methane Hydrates: Unrealistic under Realistic Conditions

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

Uncovering Molecular Details of Urea Crystal Growth in the Presence of Additives

(2012) Matteo Salvalaglio et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Temperature dependence of ice critical nucleus size

(2011) Rodolfo G. Pereyra et al.   JOURNAL OF CHEMICAL PHYSICS

Role of the Prestructured Surface Cloud in Crystal Nucleation

(2011) Wolfgang Lechner et al.   PHYSICAL REVIEW LETTERS

An improved generalized AMBER force field (GAFF) for urea

(2010) Gül Altınbaş Özpınar et al.   JOURNAL OF MOLECULAR MODELING

Isothermal-isobaric molecular dynamics using stochastic velocity rescaling

(2009) Giovanni Bussi et al.   JOURNAL OF CHEMICAL PHYSICS

Forward flux sampling for rare event simulations

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

Nucleation and Growth in Structural Transformations of Nanocrystals

(2009) Michael Grünwald et al.   NANO LETTERS

From form to function: Crystallization of active pharmaceutical ingredients

(2008) Narayan Variankaval et al.   AICHE JOURNAL

The Evolution of Crystal Shape During Dissolution: Predictions and Experiments

(2008) Ryan C. Snyder et al.   CRYSTAL GROWTH & DESIGN