Nucleation in aqueous NaCl solutions shifts from 1-step to 2-step mechanism on crossing the spinodal

Phase transitions in fluctuations and their role in two-step nucleation

(2019) Daniella James et al.   JOURNAL OF CHEMICAL PHYSICS

Forward flux sampling calculation of homogeneous nucleation rates from aqueous NaCl solutions

(2018) Hao Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates

(2018) Nils. E. R. Zimmermann et al.   JOURNAL OF CHEMICAL PHYSICS

A simulation study of homogeneous ice nucleation in supercooled salty water

(2018) Guiomar D. Soria et al.   JOURNAL OF CHEMICAL PHYSICS

The influence of ion hydration on nucleation and growth of LiF crystals in aqueous solution

(2018) G. Lanaro et al.   JOURNAL OF CHEMICAL PHYSICS

Frustration vs Prenucleation: Understanding the Surprising Stability of Supersaturated Sodium Thiosulfate Solutions

(2018) Judith Reichenbach et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Hybrid Monte Carlo with LAMMPS

(2018) Jingxiang Guo et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Communication: Nucleation rates of supersaturated aqueous NaCl using a polarizable force field

(2018) Hao Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

Promotion of Homogeneous Ice Nucleation by Soluble Molecules

(2017) Kenji Mochizuki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations

(2016) Gabriele C. Sosso et al.   CHEMICAL REVIEWS

A Review of Classical and Nonclassical Nucleation Theories

(2016) S. Karthika et al.   CRYSTAL GROWTH & DESIGN

Temperature-dependent formation of NaCl dihydrate in levitated NaCl and sea salt aerosol particles

(2016) Andreas Peckhaus et al.   JOURNAL OF CHEMICAL PHYSICS

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

Birth of NaCl Crystals: Insights from Molecular Simulations

(2016) G. Lanaro et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite

(2016) Gabriele C. Sosso et al.   Journal of Physical Chemistry Letters

Recent progress in molecular simulation of aqueous electrolytes: force fields, chemical potentials and solubility

(2016) Ivo Nezbeda et al.   MOLECULAR PHYSICS

Multistep nucleation of nanocrystals in aqueous solution

(2016) N. Duane Loh et al.   Nature Chemistry

Urea homogeneous nucleation mechanism is solvent dependent

(2015) Matteo Salvalaglio et al.   FARADAY DISCUSSIONS

Mean ionic activity coefficients in aqueous NaCl solutions from molecular dynamics simulations

(2015) Zoltan Mester et al.   JOURNAL OF CHEMICAL PHYSICS

Temperature-dependent solubilities and mean ionic activity coefficients of alkali halides in water from molecular dynamics simulations

(2015) Zoltan Mester et al.   JOURNAL OF CHEMICAL PHYSICS

Crystallization of Lennard-Jones nanodroplets: From near melting to deeply supercooled

(2015) Shahrazad M. A. Malek 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

Atomistic simulations of liquid–liquid coexistence in confinement: comparison of thermodynamics and kinetics with bulk

(2015) Subir K. Das   MOLECULAR SIMULATION

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

Molecular simulation of thermodynamic and transport properties for the H2O+NaCl system

(2014) Gustavo A. Orozco et al.   JOURNAL OF 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

Observing classical nucleation theory at work by monitoring phase transitions with molecular precision

(2014) Mike Sleutel et al.   Nature Communications

Molecular force fields for aqueous electrolytes: SPC/E-compatible charged LJ sphere models and their limitations

(2013) Filip Moučka et al.   JOURNAL OF CHEMICAL PHYSICS

How Crystals Nucleate and Grow in Aqueous NaCl Solution

(2013) Debashree Chakraborty et al.   Journal of Physical Chemistry Letters

More than one pathway

(2013) Jim De Yoreo   NATURE MATERIALS

Nucleation from Solution

(2013) A. S. Myerson et al.   SCIENCE

Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions

(2013) A. F. Wallace et al.   SCIENCE

A metastable liquid precursor phase of calcium carbonate and its interactions with polyaspartate

(2012) Mark A. Bewernitz et al.   FARADAY DISCUSSIONS

The thermodynamics of calcite nucleation at organic interfaces: Classical vs. non-classical pathways

(2012) Q. Hu et al.   FARADAY DISCUSSIONS

In situ observations of liquid–liquid phase separation in aqueous MgSO4 solutions: Geological and geochemical implications

(2012) Xiaolin Wang et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Molecular Simulation of Aqueous Electrolyte Solubility. 3. Alkali-Halide Salts and Their Mixtures in Water and in Hydrochloric Acid

(2012) Filip Moučka et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Crystallization of a binary Lennard-Jones mixture

(2011) Swetlana Jungblut et al.   JOURNAL OF CHEMICAL PHYSICS

Nucleation barriers in tetrahedral liquids spanning glassy and crystallizing regimes

(2011) Ivan Saika-Voivod et al.   JOURNAL OF CHEMICAL PHYSICS

Amorphous precursors of crystallization during spinodal decomposition

(2011) Leopoldo R. Gómez et al.   PHYSICAL REVIEW E

Thermodynamic properties of a symmetrical binary mixture in the coexistence region

(2011) Subir K. Das et al.   PHYSICAL REVIEW E

Effects of liquid–liquid phase separation on crystallization of poly(ethylene glycol) in blends with isotactic poly(methyl methacrylate)

(2011) Fuminori Arai et al.   POLYMER

Stable prenucleation mineral clusters are liquid-like ionic polymers

(2011) Raffaella Demichelis et al.   Nature Communications

Theory of spinodal decomposition assisted crystallization in binary mixtures

(2010) Mithun K. Mitra et al.   JOURNAL OF CHEMICAL PHYSICS

The two-step mechanism of nucleation of crystals in solution

(2010) Peter G. Vekilov   Nanoscale

Nucleation of Crystals from Solution: Classical and Two-Step Models

(2009) Deniz Erdemir et al.   ACCOUNTS OF CHEMICAL RESEARCH

Test of classical nucleation theory and mean first-passage time formalism on crystallization in the Lennard-Jones liquid

(2009) Sarah E. M. Lundrigan et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Kinetic Reconstruction of the Free-Energy Landscape

(2008) Jan Wedekind et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations

(2008) In Suk Joung et al.   JOURNAL OF PHYSICAL CHEMISTRY B