Simon Stephan
Simon Stephan
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Zitiert von
Zitiert von
ms2: A molecular simulation tool for thermodynamic properties, release 3.0
G Rutkai, A Köster, G Guevara-Carrion, T Janzen, M Schappals, ...
Computer Physics Communications 221, 343-351, 2017
Round robin study: Molecular simulation of thermodynamic properties from models with internal degrees of freedom
M Schappals, A Mecklenfeld, L Kröger, V Botan, A Köster, S Stephan, ...
Journal of chemical theory and computation 13 (9), 4270-4280, 2017
Equation of state for the Lennard-Jones truncated and shifted fluid with a cut-off radius of 2.5 σ based on perturbation theory and its applications to interfacial thermodynamics
M Heier, S Stephan, J Liu, WG Chapman, H Hasse, K Langenbach
Molecular Physics 116 (15-16), 2083-2094, 2018
Thermophysical properties of the Lennard-Jones fluid: Database and data assessment
S Stephan, M Thol, J Vrabec, H Hasse
Journal of chemical information and modeling 59 (10), 4248-4265, 2019
MolMod–an open access database of force fields for molecular simulations of fluids
S Stephan, MT Horsch, J Vrabec, H Hasse
Molecular Simulation 45 (10), 806-814, 2019
Vapor− Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory
S Stephan, J Liu, K Langenbach, WG Chapman, H Hasse
The Journal of Physical Chemistry C 122 (43), 24705-24715, 2018
Interfacial properties of binary Lennard-Jones mixtures by molecular simulation and density gradient theory
S Stephan, K Langenbach, H Hasse
The Journal of chemical physics 150 (17), 174704, 2019
Enrichment at vapour–liquid interfaces of mixtures: establishing a link between nanoscopic and macroscopic properties
S Stephan, H Hasse
International Reviews in Physical Chemistry 39 (3), 319-349, 2020
Influence of dispersive long-range interactions on properties of vapour–liquid equilibria and interfaces of binary Lennard-Jones mixtures
S Stephan, H Hasse
Molecular Physics 118 (9-10), e1699185, 2020
Interfacial properties of binary mixtures of simple fluids and their relation to the phase diagram
S Stephan, H Hasse
Physical Chemistry Chemical Physics 22 (22), 12544-12564, 2020
Molecular interactions at vapor-liquid interfaces: Binary mixtures of simple fluids
S Stephan, H Hasse
Physical Review E 101 (1), 012802, 2020
Molecular dynamics simulation study of mechanical effects of lubrication on a nanoscale contact process
S Stephan, MP Lautenschläger, IA Alhafez, MT Horsch, HM Urbassek, ...
Tribology Letters 66 (4), 1-13, 2018
Review and comparison of equations of state for the Lennard-Jones fluid
S Stephan, J Staubach, H Hasse
Fluid Phase Equilibria 523, 112772, 2020
Effects of lubrication on the friction in nanometric machining processes: A molecular dynamics approach
MP Lautenschlaeger, S Stephan, HM Urbassek, B Kirsch, JC Aurich, ...
Applied Mechanics and Materials 869, 85-93, 2017
Molecular dynamics and phase field simulations of droplets on surfaces with wettability gradient
F Diewald, MP Lautenschlaeger, S Stephan, K Langenbach, C Kuhn, ...
Computer Methods in Applied Mechanics and Engineering 361, 112773, 2020
The influence of lubrication and the solid–fluid interaction on thermodynamic properties in a nanoscopic scratching process
S Stephan, M Dyga, HM Urbassek, H Hasse
Langmuir 35 (51), 16948-16960, 2019
Enrichment of components at vapour-liquid interfaces: A study by molecular simulation and density gradient theory
S Stephan, K Langenbach, H Hasse
Effects of lubrication on friction and heat transfer in machining processes on the nanoscale: A molecular dynamics approach
MP Lautenschlaeger, S Stephan, MT Horsch, B Kirsch, JC Aurich, ...
Procedia CIRP 67, 296-301, 2018
Vapor-liquid interfacial properties of the system cyclohexane+ CO2: Experiments, molecular simulation and density gradient theory
S Stephan, S Becker, K Langenbach, H Hasse
Fluid Phase Equilibria 518, 112583, 2020
Skasim–scalable hpc software for molecular simulation in the chemical industry
J Vrabec, M Bernreuther, HJ Bungartz, WL Chen, W Cordes, R Fingerhut, ...
Chemie Ingenieur Technik 90 (3), 295-306, 2018
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