Water Flow in Single-Wall Nanotubes: Oxygen Makes It Slip, Hydrogen Makes It Stick von Thiemann, Fabian L., Schran, Christoph, Rowe, Patrick, Müller, Erich A., Michaelides, Angelos

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Simulation and Data-Driven Modeling of the Transport Properties of the Mie Fluid von Chaparro, Gustavo, Müller, Erich A.

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Defect-Dependent Corrugation in Graphene von Thiemann, Fabian L, Rowe, Patrick, Zen, Andrea, Müller, Erich A, Michaelides, Angelos

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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 von Mejía, Andrés, Müller, Erich A, Chaparro Maldonado, Gustavo

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Machine learning hybrid approach for the prediction of surface tension profiles of hydrocarbon surfactants in aqueous solution von Seddon, Dale, Müller, Erich A., Cabral, João T.

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Machine Learning Potential for Hexagonal Boron Nitride Applied to Thermally and Mechanically Induced Rippling von Thiemann, Fabian L, Rowe, Patrick, Müller, Erich A, Michaelides, Angelos

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Extension of the SAFT-VR Mie EoS To Model Homonuclear Rings and Its Parametrization Based on the Principle of Corresponding States von Müller, Erich A, Mejía, Andrés

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Combined Experimental, Theoretical, and Molecular Simulation Approach for the Description of the Fluid-Phase Behavior of Hydrocarbon Mixtures within Shale Rocks von Herdes, Carmelo, Petit, Camille, Mejía, Andres, Müller, Erich A

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Equation of state and force fields for Feynman–Hibbs-corrected Mie fluids. II. Application to mixtures of helium, neon, hydrogen, and deuterium von Aasen, Ailo, Hammer, Morten, Müller, Erich A., Wilhelmsen, Øivind

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How does the shape and surface energy of pores affect the adsorption of nanoconfined fluids? von Cárdenas, Harry, Müller, Erich A.

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Aggregation Behavior of Model Asphaltenes Revealed from Large-Scale Coarse-Grained Molecular Simulations von Jiménez-Serratos, Guadalupe, Totton, Tim S, Jackson, George, Müller, Erich A

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Beyond the mean-field approximation for pair correlations in classical density functional theory: Reference inhomogeneous non-associating monomeric fluids for use with SAFT-VR Mie... von Bernet, Thomas, Ravipati, Srikanth, Cárdenas, Harry, Müller, Erich A., Jackson, George

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Significant Effect of Rugosity on Transport of Hydrocarbon Liquids in Carbonaceous Nanopores von Fayaz-Torshizi, Maziar, Xu, Weilun, Marshall, Bennett D., Ravikovitch, Peter I., Müller, Erich A.

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Bottled SAFT: A Web App Providing SAFT‑γ Mie Force Field Parameters for Thousands of Molecular Fluids von Ervik, Åsmund, Mejía, Andrés, Müller, Erich A

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Group Contribution Coarse-Grained Molecular Simulations of Polystyrene Melts and Polystyrene Solutions in Alkanes Using the SAFT‑γ Force Field von Jiménez-Serratos, Guadalupe, Herdes, Carmelo, Haslam, Andrew J, Jackson, George, Müller, Erich A

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Spreading of aqueous droplets with common and superspreading surfactants. A molecular dynamics study von Theodorakis, Panagiotis E., Smith, Edward R., Müller, Erich A.

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Interfacial tensions of industrial fluids from a molecular-based square gradient theory von Garrido, José Matías, Mejía, Andrés, Piñeiro, Manuel M., Blas, Felipe J., Müller, Erich A.

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Employing SAFT Coarse-Grained Force Fields for the Molecular Simulation of Thermodynamic and Transport Properties of CO2–n‑Alkane Mixtures von Zheng, Lingru, Bresme, Fernando, Trusler, J. P. Martin, Müller, Erich A

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Working-fluid selection and performance investigation of a two-phase single-reciprocating-piston heat-conversion engine von Oyewunmi, Oyeniyi A., Kirmse, Christoph J.W., Haslam, Andrew J., Müller, Erich A., Markides, Christos N.

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Predicting the pressure dependence of the viscosity of 2,2,4-trimethylhexane using the SAFT coarse-grained force field von Zheng, Lingru, Trusler, J.P. Martin, Bresme, Fernando, Müller, Erich A.

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