Related references
Note: Only part of the references are listed.Computational methodology for solubility prediction: Application to the sparingly soluble solutes
Lunna Li et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Role of Salt, Pressure, and Water Activity on Homogeneous Ice Nucleation
Jorge R. Espinosa et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)
Spontaneous NaCl-doped ice at seawater conditions: focus on the mechanisms of ion inclusion
M. M. Conde et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations
Gabriele C. Sosso et al.
CHEMICAL REVIEWS (2016)
Seeding approach to crystal nucleation
Jorge R. Espinosa et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Consensus on the solubility of NaCl in water from computer simulations using the chemical potential route
A. L. Benavides et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Birth of NaCl Crystals: Insights from Molecular Simulations
G. Lanaro et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Ice-Water Interfacial Free Energy for the TIP4P, TIP4P/2005, TIP4P/Ice, and mW Models As Obtained from the Mold Integration Technique
Jorge R. Espinosa et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Recent progress in molecular simulation of aqueous electrolytes: force fields, chemical potentials and solubility
Ivo Nezbeda et al.
MOLECULAR PHYSICS (2016)
Interfacial Free Energy as the Key to the Pressure-Induced Deceleration of Ice Nucleation
Jorge R. Espinosa et al.
PHYSICAL REVIEW LETTERS (2016)
Urea homogeneous nucleation mechanism is solvent dependent
Matteo Salvalaglio et al.
FARADAY DISCUSSIONS (2015)
The crystal-fluid interfacial free energy and nucleation rate of NaCl from different simulation methods
Jorge R. Espinosa et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Competition between ices Ih and Ic in homogeneous water freezing
Alberto Zaragoza et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Mean ionic activity coefficients in aqueous NaCl solutions from molecular dynamics simulations
Zoltan Mester et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Temperature-dependent solubilities and mean ionic activity coefficients of alkali halides in water from molecular dynamics simulations
Zoltan Mester et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates
Nils E. R. Zimmermann et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Classical nucleation theory of homogeneous freezing of water: thermodynamic and kinetic parameters
Luisa Ickes et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Direct calculation of ice homogeneous nucleation rate for a molecular model of water
Amir Haji-Akbari et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2015)
Urea homogeneous nucleation mechanism is solvent dependent
Matteo Salvalaglio et al.
FARADAY DISCUSSIONS (2015)
Molecular-dynamics simulations of urea nucleation from aqueous solution
Matteo Salvalaglio et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2015)
Homogeneous ice nucleation evaluated for several water models
J. R. Espinosa et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
The mold integration method for the calculation of the crystal-fluid interfacial free energy from simulations
J. R. Espinosa et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Controlled ice nucleation in cryopreservation - A review
G. John Morris et al.
CRYOBIOLOGY (2013)
Low-density liquid water is the mother of ice: on the relation between mesostructure, thermodynamics and ice crystallization in solutions
Griffin Bullock et al.
FARADAY DISCUSSIONS (2013)
Neural networks for local structure detection in polymorphic systems
Philipp Geiger et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
On fluid-solid direct coexistence simulations: The pseudo-hard sphere model
Jorge R. Espinosa et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Determining the phase diagram of water from direct coexistence simulations: The phase diagram of the TIP4P/2005 model revisited
M. M. Conde et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
How Crystals Nucleate and Grow in Aqueous NaCl Solution
Debashree Chakraborty et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Homogeneous Ice Nucleation at Moderate Supercooling from Molecular Simulation
E. Sanz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Calculation of the melting point of alkali halides by means of computer simulations
J. L. Aragones et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Molecular Simulation of Aqueous Electrolyte Solubility. 3. Alkali-Halide Salts and Their Mixtures in Water and in Hydrochloric Acid
Filip Moucka et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
Homogeneous Nucleation of Methane Hydrates: Unrealistic under Realistic Conditions
Brandon C. Knott et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Freezing water in no-man's land
Alexandra Manka et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Structure of ice crystallized from supercooled water
Tamsin L. Malkin et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
Temperature dependence of ice critical nucleus size
Rodolfo G. Pereyra et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Can Amorphous Nuclei Grow Crystalline Clathrates? The Size and Crystallinity of Critical Clathrate Nuclei
Liam C. Jacobson et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Homogeneous ice nucleation from supercooled water
Tianshu Li et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Is it cubic? Ice crystallization from deeply supercooled water
Emily B. Moore et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Ice nucleation from aqueous NaCl droplets with and without marine diatoms
P. A. Alpert et al.
ATMOSPHERIC CHEMISTRY AND PHYSICS (2011)
A method for computing the solubility limit of solids: Application to sodium chloride in water and alcohols
Andrew S. Paluch et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Kinetics of the homogeneous freezing of water
B. J. Murray et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Determination of the melting point of hard spheres from direct coexistence simulation methods
Eva G. Noya et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Metadynamics simulations of ice nucleation and growth
D. Quigley et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Accurate determination of crystal structures based on averaged local bond order parameters
Wolfgang Lechner et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
P-LINCS: A parallel linear constraint solver for molecular simulation
Berk Hess
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
Berk Hess et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations
In Suk Joung et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Monitoring ice nucleation in pure and salty water via high-speed imaging and computer simulations
Sigurd Bauerecker et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
Demagnetization via nucleation of the nonequilibrium metastable phase in a model of disorder
Pablo I. Hurtado et al.
JOURNAL OF STATISTICAL PHYSICS (2008)
Canonical sampling through velocity rescaling
Giovanni Bussi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Solubility of KF and NaCl in water by molecular simulation
E. Sanz et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Crystal nucleation in binary hard sphere mixtures: A Monte Carlo simulation study
S. Punnathanam et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface
RG Fernández et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Calculation of solid-liquid interfacial free energy: A classical nucleation theory based approach
XM Bai et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
A general purpose model for the condensed phases of water: TIP4P/2005
JLF Abascal et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Atomistic mechanism of NaCl nucleation from an aqueous solution
D Zahn
PHYSICAL REVIEW LETTERS (2004)
Nucleation of hexagonal ice (Ih) in liquid water
R Radhakrishnan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
A less expensive Ewald lattice sum
DR Wheeler et al.
CHEMICAL PHYSICS LETTERS (2002)
Prediction of absolute crystal-nucleation rate in hard-sphere colloids
S Auer et al.
NATURE (2001)
Phase transitions of sea-salt/water mixtures at low temperatures: Implications for ozone chemistry in the polar marine boundary layer
T Koop et al.
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES (2000)
Water activity as the determinant for homogeneous ice nucleation in aqueous solutions
T Koop et al.
NATURE (2000)