Lista de obras - Martin Thomas Horsch - Dominio Público Uruguay

591 TFLOPS Multi-trillion Particles Simulation on SuperMUC

A molecular dynamics simulation scenario for studying solvent-mediated interactions of polymers and application to thermoresponse of poly(N-isopropylacrylamide) in water

Activities in Aqueous Solutions of the Alkali Halide Salts from Molecular Simulation

Activity coefficients from molecular simulations using the OPAS method

artículo científico publicado en 2017

Atomistic Simulations of Electrolyte Solutions and Hydrogels with Explicit Solvent Models

article published in 2012

Characterization of alkylsilane self-assembled monolayers by molecular simulation.

artículo científico publicado en 2015

Comment on “The gas-liquid surface tension of argon: A reconciliation between experiment and simulation” [J. Chem. Phys. 140, 244710 (2014)]

artículo científico publicado en 2015

Computational Molecular Engineering as an Emerging Technology in Process Engineering

article published in 2013

Contact Angle Dependence on the Fluid−Wall Dispersive Energy

Contact angle of sessile drops in Lennard-Jones systems.

artículo científico publicado en 2014

Correction to “Contact Angle of Sessile Drops in Lennard-Jones Systems”

artículo científico publicado en 2018

Density of Methanolic Alkali Halide Salt Solutions by Experiment and Molecular Simulation

Density of ethanolic alkali halide salt solutions by experiment and molecular simulation

Excess equimolar radius of liquid drops

artículo científico publicado en 2012

Grand canonical steady-state simulation of nucleation

artículo científico publicado en 2009

Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics.

artículo científico publicado en 2008

Hydrogen bonding of ethanol in supercritical mixtures with CO2 by 1H NMR spectroscopy and molecular simulation

Influence of bidisperse self-assembled monolayer structure on the slip boundary condition of thin polymer films ⬇️

artículo científico publicado en 2017

Interfacial and bulk properties of vapor-liquid equilibria in the system toluene + hydrogen chloride + carbon dioxide by molecular simulation and density gradient theory + PC-SAFT

Interfacial tension and adsorption in the binary system ethanol and carbon dioxide: Experiments, molecular simulation and density gradient theory

Investigating the stability of the phase field solution of equilibrium droplet configurations by eigenvalues and eigenvectors

Long-range correction for dipolar fluids at planar interfaces

Long-range correction for multi-site Lennard-Jones models and planar interfaces ⬇️

Modification of the classical nucleation theory based on molecular simulation data for surface tension, critical nucleus size, and nucleation rate.

artículo científico publicado en 2008

Molecular Dynamics Based Analysis of Nucleation and Surface Energy of Droplets in Supersaturated Vapors of Methane and Ethane

article

Molecular Modeling of Hydrogen Bonding Fluids: Vapor-Liquid Coexistence and Interfacial Properties

Molecular modelling and simulation of the surface tension of real quadrupolar fluids

article

Molecular simulation of nano-dispersed fluid phases

scholarly article by Martin Horsch & Hans Hasse published April 2014 in Chemical Engineering Science

Molecular simulation of the surface tension of 33 multi-site models for real fluids

Molecular simulation study of the CO 2 -N 2 O analogy

On the simultaneous description of h-bonding and dipolar interactions with point charges in force field models

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

Reprint of: Molecular simulation of nano-dispersed fluid phases

scholarly article by Martin Horsch & Hans Hasse published August 2014 in Chemical Engineering Science

Simulation of Surface Wetting by Droplets Using a Phase Field Model

Simultaneous description of bulk and interfacial properties of fluids by the Mie potential ⬇️

Solvent activity in electrolyte solutions from molecular simulation of the osmotic pressure

artículo científico publicado en 2016

Static and Dynamic Wetting Behavior of Drops on Impregnated Structured Walls by Molecular Dynamics Simulation

article

Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory

artículo científico publicado en 2018

Surface Wetting with Droplets: A Phase Field Approach

Surface tension of the two center Lennard-Jones plus point dipole fluid

artículo científico publicado en 2016

Surface tension of the two center Lennard-Jones plus quadrupole model fluid

article

The influence of the liquid slab thickness on the planar vapor–liquid interfacial tension

Three-dimensional phase field modeling of inhomogeneous gas-liquid systems using the PeTS equation of state

scientific article published on 01 August 2018

ls1 mardyn: The Massively Parallel Molecular Dynamics Code for Large Systems

artículo científico publicado en 2014

Lista de obras de Martin Thomas Horsch

591 TFLOPS Multi-trillion Particles Simulation on SuperMUC

A molecular dynamics simulation scenario for studying solvent-mediated interactions of polymers and application to thermoresponse of poly(N-isopropylacrylamide) in water

Activities in Aqueous Solutions of the Alkali Halide Salts from Molecular Simulation

Activity coefficients from molecular simulations using the OPAS method

Atomistic Simulations of Electrolyte Solutions and Hydrogels with Explicit Solvent Models

Characterization of alkylsilane self-assembled monolayers by molecular simulation.

Comment on “The gas-liquid surface tension of argon: A reconciliation between experiment and simulation” [J. Chem. Phys. 140, 244710 (2014)]

Computational Molecular Engineering as an Emerging Technology in Process Engineering

Contact Angle Dependence on the Fluid−Wall Dispersive Energy

Contact angle of sessile drops in Lennard-Jones systems.

Correction to “Contact Angle of Sessile Drops in Lennard-Jones Systems”

Density of Methanolic Alkali Halide Salt Solutions by Experiment and Molecular Simulation

Density of ethanolic alkali halide salt solutions by experiment and molecular simulation

Excess equimolar radius of liquid drops

Grand canonical steady-state simulation of nucleation

Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics.

Hydrogen bonding of ethanol in supercritical mixtures with CO2 by 1H NMR spectroscopy and molecular simulation

Influence of bidisperse self-assembled monolayer structure on the slip boundary condition of thin polymer films ⬇️

Interfacial and bulk properties of vapor-liquid equilibria in the system toluene + hydrogen chloride + carbon dioxide by molecular simulation and density gradient theory + PC-SAFT

Interfacial tension and adsorption in the binary system ethanol and carbon dioxide: Experiments, molecular simulation and density gradient theory

Investigating the stability of the phase field solution of equilibrium droplet configurations by eigenvalues and eigenvectors

Long-range correction for dipolar fluids at planar interfaces

Long-range correction for multi-site Lennard-Jones models and planar interfaces ⬇️

Modification of the classical nucleation theory based on molecular simulation data for surface tension, critical nucleus size, and nucleation rate.

Molecular Dynamics Based Analysis of Nucleation and Surface Energy of Droplets in Supersaturated Vapors of Methane and Ethane

Molecular Modeling of Hydrogen Bonding Fluids: Vapor-Liquid Coexistence and Interfacial Properties

Molecular modelling and simulation of the surface tension of real quadrupolar fluids

Molecular simulation of nano-dispersed fluid phases

Molecular simulation of the surface tension of 33 multi-site models for real fluids

Molecular simulation study of the CO 2 -N 2 O analogy

On the simultaneous description of h-bonding and dipolar interactions with point charges in force field models

Ontology-based semantic interoperability on the Virtual Materials Marketplace

Reprint of: Molecular simulation of nano-dispersed fluid phases

Simulation of Surface Wetting by Droplets Using a Phase Field Model

Simultaneous description of bulk and interfacial properties of fluids by the Mie potential ⬇️

Solvent activity in electrolyte solutions from molecular simulation of the osmotic pressure

Static and Dynamic Wetting Behavior of Drops on Impregnated Structured Walls by Molecular Dynamics Simulation

Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory

Surface Wetting with Droplets: A Phase Field Approach

Surface tension of the two center Lennard-Jones plus point dipole fluid

Surface tension of the two center Lennard-Jones plus quadrupole model fluid

The influence of the liquid slab thickness on the planar vapor–liquid interfacial tension

Three-dimensional phase field modeling of inhomogeneous gas-liquid systems using the PeTS equation of state

ls1 mardyn: The Massively Parallel Molecular Dynamics Code for Large Systems

ms2: A molecular simulation tool for thermodynamic properties, new version release ⬇️

ms2: A molecular simulation tool for thermodynamic properties, release 3.0