Urea homogeneous nucleation mechanism is solvent dependent

Insight into the nucleation of urea crystals from the melt

(2015) Federico Giberti et al.   CHEMICAL ENGINEERING SCIENCE

Metadynamics studies of crystal nucleation

(2015) Federico Giberti et al.   IUCrJ

Nucleation Mechanisms of a Polymorphic Molecular Crystal: Solvent-Dependent Structural Evolution of Benzamide Aggregates

(2014) Philipp Ectors et al.   CRYSTAL GROWTH & DESIGN

A Time-Independent Free Energy Estimator for Metadynamics

(2014) Pratyush Tiwary et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Well-Tempered Metadynamics Converges Asymptotically

(2014) James F. Dama et al.   PHYSICAL REVIEW LETTERS

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

1,3,5-Tris(4-bromophenyl)benzene prenucleation clusters from metadynamics

(2014) Matteo Salvalaglio et al.   Acta Crystallographica Section C-Structural Chemistry

Controlling and Predicting Crystal Shapes: The Case of Urea

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

Nucleation of Organic Crystals-A Molecular Perspective

(2013) Roger J. Davey et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Transient Polymorphism in NaCl

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

Comments on the thermodynamic analysis of nucleation in confined space

(2013) Jürn W.P. Schmelzer et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Fast Crystallization of the Phase Change Compound GeTe by Large-Scale Molecular Dynamics Simulations

(2013) Gabriele C. Sosso et al.   Journal of Physical Chemistry Letters

Nucleation from Solution

(2013) A. S. Myerson et al.   SCIENCE

GROMACS molecule & liquid database

(2012) D. van der Spoel et al.   BIOINFORMATICS

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

Uncovering Molecular Processes in Crystal Nucleation and Growth by Using Molecular Simulation

(2011) Jamshed Anwar et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Slowing the Growth Rate of Ibuprofen Crystals Using the Polymeric Additive Pluronic F127

(2011) Thomas Vetter et al.   CRYSTAL GROWTH & DESIGN

A general set of order parameters for molecular crystals

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

An improved generalized AMBER force field (GAFF) for urea

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

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

(2009) Massimiliano Bonomi et al.   COMPUTER PHYSICS COMMUNICATIONS

A New Model for the Effect of Molecular Imposters on the Shape of Faceted Molecular Crystals

(2009) Jacob P. Sizemore et al.   CRYSTAL GROWTH & DESIGN

Reaching One Single and Stable Critical Cluster through Finite-Sized Systems

(2009) Romain Grossier et al.   CRYSTAL GROWTH & DESIGN

Competing nucleation pathways in a mixture of oppositely charged colloids: Out-of-equilibrium nucleation revisited

(2009) Baron Peters   JOURNAL OF CHEMICAL PHYSICS

Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics

(2009) M. Bonomi et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A Molecular Dynamics Study of the Early Stages of Calcium Carbonate Growth

(2009) Gareth A. Tribello et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

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

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

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

(2008) Alessandro Barducci et al.   PHYSICAL REVIEW LETTERS