Lista de obras - Martin Lísal - Dominio Público Uruguay

A coarse-grain force field for RDX: Density dependent and energy conserving

artículo científico publicado en 2016

Adsorption and Diffusion of C1 to C4 Alkanes in Dual-Porosity Zeolites by Molecular Simulations

artículo científico publicado en 2017

Adsorption of amphiphilic graft copolymers in solvents selective for the grafts on a lyophobic surface: a coarse-grained simulation study

artículo científico publicado en 2018

Air-liquid interfaces of imidazolium-based [TF2N-] ionic liquids: insight from molecular dynamics simulations

scientific article published on 21 February 2012

Alignment of lamellar diblock copolymer phases under shear: insight from dissipative particle dynamics simulations

scientific article published on 22 March 2007

An enhanced entangled polymer model for dissipative particle dynamics

scientific article published on 01 April 2012

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

artículo científico publicado en 2018

Chemical reaction equilibrium in nanoporous materials: NO dimerization reaction in carbon slit nanopores

artículo científico publicado en 2006

Coarse-Grain Model Simulations of Nonequilibrium Dynamics in Heterogeneous Materials

artículo científico publicado en 2014

Concentrated aqueous sodium chloride solution in clays at thermodynamic conditions of hydraulic fracturing: Insight from molecular dynamics simulations

artículo científico publicado en 2018

Density functional study of chemical reaction equilibrium for dimerization reactions in slit and cylindrical nanopores

artículo científico publicado en 2009

Direct Monte Carlo simulation methods for nonreacting and reacting systems at fixed total internal energy or enthalpy

artículo científico publicado en 2002

Dissipative particle dynamics at isothermal, isobaric, isoenergetic, and isoenthalpic conditions using Shardlow-like splitting algorithms

artículo científico publicado en 2011

Dissipative particle dynamics with reactions: Application to RDX decomposition

artículo científico publicado en 2019

Dual control cell reaction ensemble molecular dynamics: a method for simulations of reactions and adsorption in porous materials

scientific article published on 01 September 2004

Flow and aggregation of rod-like proteins in slit and cylindrical pores coated with polymer brushes: an insight from dissipative particle dynamics

artículo científico publicado en 2017

Free-energy calculations using classical molecular simulation: application to the determination of the melting point and chemical potential of a flexible RDX model

artículo científico publicado en 2016

Generalised dissipative particle dynamics with energy conservation: density- and temperature-dependent potentials

artículo científico publicado en 2019

Generalized Energy-Conserving Dissipative Particle Dynamics with Reactions

artículo científico publicado en 2022

Highly grafted polystyrene/polyvinylpyridine polymer gold nanoparticles in a good solvent: effects of chain length and composition

artículo científico publicado en 2016

Mesoscale simulation of polymer reaction equilibrium: Combining dissipative particle dynamics with reaction ensemble Monte Carlo. II. Supramolecular diblock copolymers

artículo científico publicado en 2009

Mesoscale simulation of polymer reaction equilibrium: combining dissipative particle dynamics with reaction ensemble Monte Carlo. I. Polydispersed polymer systems

artículo científico publicado en 2006

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

artículo científico publicado en 2017

Molecular dynamics simulations of n-hexane at 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide interface

artículo científico publicado en 2013

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

artículo científico publicado en 2011

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

artículo científico publicado en 2012

Molecular simulations of aqueous electrolyte solubility: 1. The expanded-ensemble osmotic molecular dynamics method for the solution phase

artículo científico publicado en 2005

Morphology and molecular bridging in comb- and star-shaped diblock copolymers.

artículo científico publicado en 2014

Ontology-based semantic interoperability on the Virtual Materials Marketplace

scientific article published in proceedings of the iswc 2020 demos and industry tracks: from novel ideas to industrial practice

Reaction ensemble molecular dynamics: direct simulation of the dynamic equilibrium properties of chemically reacting mixtures

artículo científico publicado en 2004

Self-assembly of lamellar- and cylinder-forming diblock copolymers in planar slits: insight from dissipative particle dynamics simulations

artículo científico publicado en 2010

Self-assembly of symmetric diblock copolymers in planar slits with and without nanopatterns: insight from dissipative particle dynamics simulations

artículo científico publicado en 2010

Surface segregation in a binary mixture of ionic liquids: Comparison between high-resolution RBS measurements and moleculardynamics simulations

artículo científico publicado en 2016

Surface structure of imidazolium-based ionic liquids: Quantitative comparison between simulations and high-resolution RBS measurements.

artículo científico publicado en 2016

The electrostatic co-assembly in non-stoichiometric aqueous mixtures of copolymers composed of one neutral water-soluble and one polyelectrolyte (either positively or negatively charged) block: a dissipative particle dynamics study.

artículo científico publicado en 2016

The liquid surface of chiral ionic liquids as seen from molecular dynamics simulations combined with intrinsic analysis.

artículo científico publicado en 2013

The self-assembly of copolymers with one hydrophobic and one polyelectrolyte block in aqueous media: a dissipative particle dynamics study

artículo científico publicado en 2016

Time-Reversible Velocity Predictors for Verlet Integration with Velocity-Dependent Right-Hand Side

artículo científico publicado en 2011

Wetting properties of molecularly rough surfaces

scientific article published on 01 September 2015

Lista de obras de Martin Lísal

A coarse-grain force field for RDX: Density dependent and energy conserving

Adsorption and Diffusion of C1 to C4 Alkanes in Dual-Porosity Zeolites by Molecular Simulations

Adsorption of amphiphilic graft copolymers in solvents selective for the grafts on a lyophobic surface: a coarse-grained simulation study

Air-liquid interfaces of imidazolium-based [TF2N-] ionic liquids: insight from molecular dynamics simulations

Alignment of lamellar diblock copolymer phases under shear: insight from dissipative particle dynamics simulations

An enhanced entangled polymer model for dissipative particle dynamics

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

Chemical reaction equilibrium in nanoporous materials: NO dimerization reaction in carbon slit nanopores

Coarse-Grain Model Simulations of Nonequilibrium Dynamics in Heterogeneous Materials

Concentrated aqueous sodium chloride solution in clays at thermodynamic conditions of hydraulic fracturing: Insight from molecular dynamics simulations

Density functional study of chemical reaction equilibrium for dimerization reactions in slit and cylindrical nanopores

Direct Monte Carlo simulation methods for nonreacting and reacting systems at fixed total internal energy or enthalpy

Dissipative particle dynamics at isothermal, isobaric, isoenergetic, and isoenthalpic conditions using Shardlow-like splitting algorithms

Dissipative particle dynamics with reactions: Application to RDX decomposition

Dual control cell reaction ensemble molecular dynamics: a method for simulations of reactions and adsorption in porous materials

Flow and aggregation of rod-like proteins in slit and cylindrical pores coated with polymer brushes: an insight from dissipative particle dynamics

Free-energy calculations using classical molecular simulation: application to the determination of the melting point and chemical potential of a flexible RDX model

Generalised dissipative particle dynamics with energy conservation: density- and temperature-dependent potentials

Generalized Energy-Conserving Dissipative Particle Dynamics with Reactions

Highly grafted polystyrene/polyvinylpyridine polymer gold nanoparticles in a good solvent: effects of chain length and composition

Mesoscale simulation of polymer reaction equilibrium: Combining dissipative particle dynamics with reaction ensemble Monte Carlo. II. Supramolecular diblock copolymers

Mesoscale simulation of polymer reaction equilibrium: combining dissipative particle dynamics with reaction ensemble Monte Carlo. I. Polydispersed polymer systems

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

Molecular dynamics simulations of n-hexane at 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide interface

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 simulations of aqueous electrolyte solubility: 1. The expanded-ensemble osmotic molecular dynamics method for the solution phase

Morphology and molecular bridging in comb- and star-shaped diblock copolymers.

Ontology-based semantic interoperability on the Virtual Materials Marketplace

Reaction ensemble molecular dynamics: direct simulation of the dynamic equilibrium properties of chemically reacting mixtures

Self-assembly of lamellar- and cylinder-forming diblock copolymers in planar slits: insight from dissipative particle dynamics simulations

Self-assembly of symmetric diblock copolymers in planar slits with and without nanopatterns: insight from dissipative particle dynamics simulations

Surface segregation in a binary mixture of ionic liquids: Comparison between high-resolution RBS measurements and moleculardynamics simulations

Surface structure of imidazolium-based ionic liquids: Quantitative comparison between simulations and high-resolution RBS measurements.

The electrostatic co-assembly in non-stoichiometric aqueous mixtures of copolymers composed of one neutral water-soluble and one polyelectrolyte (either positively or negatively charged) block: a dissipative particle dynamics study.

The liquid surface of chiral ionic liquids as seen from molecular dynamics simulations combined with intrinsic analysis.

The self-assembly of copolymers with one hydrophobic and one polyelectrolyte block in aqueous media: a dissipative particle dynamics study

Time-Reversible Velocity Predictors for Verlet Integration with Velocity-Dependent Right-Hand Side

Wetting properties of molecularly rough surfaces