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List of works by Erich A. Müller

Accurate statistical associating fluid theory for chain molecules formed from Mie segments

scientific article published in October 2013

Adsorption of super greenhouse gases on microporous carbons

scientific article published in November 2005

Aggregation Behavior of Model Asphaltenes Revealed from Large-Scale Coarse-Grained Molecular Simulations

scientific article published on 04 March 2019

Bulk viscosity of molecular fluids

scientific article published on 01 May 2018

Communications: Evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension

scientific article published on 01 April 2010

Comparison of united-atom potentials for the simulation of vapor-liquid equilibria and interfacial properties of long-chain n-alkanes up to n-C100.

scientific article published on 17 October 2011

Demixing, surface nematization, and competing adsorption in binary mixtures of hard rods and hard spheres under confinement

scientific article published on 01 April 2018

Effective coarse-grained solid-fluid potentials and their application to model adsorption of fluids on heterogeneous surfaces.

scientific article

Equation of state and force fields for Feynman-Hibbs-corrected Mie fluids. II. Application to mixtures of helium, neon, hydrogen, and deuterium

scientific article published on 01 February 2020

Excess equimolar radius of liquid drops

scientific article published on 26 March 2012

Extension of the SAFT-VR Mie EoS To Model Homonuclear Rings and Its Parametrization Based on the Principle of Corresponding States

scientific article published on 11 June 2017

Fluid-solid phase transition of n-alkane mixtures: Coarse-grained molecular dynamics simulations and diffusion-ordered spectroscopy nuclear magnetic resonance

scientific article published in Scientific Reports

Force-field parameters from the SAFT-γ equation of state for use in coarse-grained molecular simulations.

scientific article published on 31 March 2014

Fundamental studies of methyl iodide adsorption in DABCO impregnated activated carbons.

scientific article published on 24 May 2013

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

scientific article published in February 2014

In Silico Determination of Gas Permeabilities by Non-Equilibrium Molecular Dynamics: CO2 and He through PIM-1.

scientific article

Liquid crystal phase behaviour of attractive disc-like particles

scientific article published on 8 August 2013

Liquid crystalline and antinematic behavior of shape-persistent macrocycles from molecular-dynamics simulations.

scientific article published on 28 December 2009

Lyotropic self-assembly mechanism of T-shaped polyphilic molecules

scientific article published on 01 January 2010

Modelling the interfacial behaviour of dilute light-switching surfactant solutions

scientific article published on 26 December 2014

Molecular Simulation of the Adsorption and Diffusion in Cylindrical Nanopores: Effect of Shape and Fluid⁻Solid Interactions

scientific article published on 09 February 2019

Moving through the phase diagram: morphology formation in solution cast polymer-fullerene blend films for organic solar cells.

scientific article

Nonequilibrium molecular dynamics simulation of diffusion at the liquid-liquid interface

scientific article published in October 2014

Nonequilibrium study of the intrinsic free-energy profile across a liquid-vapour interface

scientific article published in January 2016

Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders. ⬇️

scientific article published in July 2015

Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules.

scientific article published in October 2012

Resolving Discrepancies in the Measurements of the Interfacial Tension for the CO2 + H2O Mixture by Computer Simulation

scientific article published on 25 March 2014

SAFT-γ Force Field for the Simulation of Molecular Fluids. 5. Hetero-Group Coarse-Grained Models of Linear Alkanes and the Importance of Intramolecular Interactions

scientific article published on 24 September 2018

SAFT-γ force field for the simulation of molecular fluids. 1. A single-site coarse grained model of carbon dioxide

scientific article published on 2 September 2011

SAFT-γ force field for the simulation of molecular fluids: 2. Coarse-grained models of greenhouse gases, refrigerants, and long alkanes.

scientific article

SGTPy: A Python Code for Calculating the Interfacial Properties of Fluids Based on the Square Gradient Theory Using the SAFT-VR Mie Equation of State

scientific article published in 2021

Self-assembly of T-shaped polyphilic molecules in solvent mixtures

scientific article published on 18 March 2011

Shape factors in equations of state. Part II. Repulsion phenomena in multicomponent chain fluids

scientific article published on 12 May 2006

Staggered alignment of quadrupolar molecules inside carbon nanotubes

scientific article published on 8 July 2008

Superspreading: mechanisms and molecular design

scientific article published on 18 February 2015

Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water.

scientific article published in March 2015

Water droplet excess free energy determined by cluster mitosis using guided molecular dynamics.

scientific article published on December 2015

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