List of works - Filip Moučka

Chemical Potentials, Activity Coefficients, and Solubility in Aqueous NaCl Solutions: Prediction by Polarizable Force Fields

scientific article published in April 2015

Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjarite

scientific article published on 01 June 2018

Detection and characterization of structural changes in the hard-disk fluid under freezing and melting conditions

scientific article published on 04 February 2005

Efficient multiparticle sampling in Monte Carlo simulations on fluids: application to polarizable models.

scientific article published in June 2007

Electrolyte pore/solution partitioning by expanded grand canonical ensemble Monte Carlo simulation.

scientific article

Modelling aqueous solubility of sodium chloride in clays at thermodynamic conditions of hydraulic fracturing by molecular simulations

scientific article published on 14 June 2017

Molecular Force Field Development for Aqueous Electrolytes: 1. Incorporating Appropriate Experimental Data and the Inadequacy of Simple Electrolyte Force Fields Based on Lennard-Jones and Point Charge Interactions with Lorentz-Berthelot Rules

scientific article published on 29 October 2013

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

scientific article published in April 2013

Molecular polarizability in open ensemble simulations of aqueous nanoconfinements under electric field

scientific article published on 01 April 2019

Molecular simulation of aqueous electrolyte solubility. 2. Osmotic ensemble Monte Carlo methodology for free energy and solubility calculations and application to NaCl

scientific article

Molecular simulation of aqueous electrolyte solubility. 3. Alkali-halide salts and their mixtures in water and in hydrochloric acid.

scientific article

Molecular simulation of aqueous electrolytes: water chemical potential results and Gibbs-Duhem equation consistency tests

scientific article published in September 2013

Novel perturbation approach for the structure factor of the attractive hard-core Yukawa fluid

scientific article published on 01 September 2007

Thermodynamics of small alkali metal halide cluster ions: comparison of classical molecular simulations with experiment and quantum chemistry

scientific article published on 09 January 2015

Thermodynamics of supersaturated steam: Molecular simulation results

scientific article published on December 2016

Vapor-liquid equilibrium and polarization behavior of the GCP water model: Gaussian charge-on-spring versus dipole self-consistent field approaches to induced polarization

scientific article published on 03 April 2015

List of works by Filip Moučka

Chemical Potentials, Activity Coefficients, and Solubility in Aqueous NaCl Solutions: Prediction by Polarizable Force Fields

Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjarite

Detection and characterization of structural changes in the hard-disk fluid under freezing and melting conditions

Efficient multiparticle sampling in Monte Carlo simulations on fluids: application to polarizable models.

Electrolyte pore/solution partitioning by expanded grand canonical ensemble Monte Carlo simulation.

Modelling aqueous solubility of sodium chloride in clays at thermodynamic conditions of hydraulic fracturing by molecular simulations

Molecular Force Field Development for Aqueous Electrolytes: 1. Incorporating Appropriate Experimental Data and the Inadequacy of Simple Electrolyte Force Fields Based on Lennard-Jones and Point Charge Interactions with Lorentz-Berthelot Rules

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

Molecular polarizability in open ensemble simulations of aqueous nanoconfinements under electric field

Molecular simulation of aqueous electrolyte solubility. 2. Osmotic ensemble Monte Carlo methodology for free energy and solubility calculations and application to NaCl

Molecular simulation of aqueous electrolyte solubility. 3. Alkali-halide salts and their mixtures in water and in hydrochloric acid.

Molecular simulation of aqueous electrolytes: water chemical potential results and Gibbs-Duhem equation consistency tests

Novel perturbation approach for the structure factor of the attractive hard-core Yukawa fluid

Thermodynamics of small alkali metal halide cluster ions: comparison of classical molecular simulations with experiment and quantum chemistry

Thermodynamics of supersaturated steam: Molecular simulation results

Vapor-liquid equilibrium and polarization behavior of the GCP water model: Gaussian charge-on-spring versus dipole self-consistent field approaches to induced polarization