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 | 148 | 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 | 96 | 2019 |
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 | 90 | 2017 |
Review and comparison of equations of state for the Lennard-Jones fluid S Stephan, J Staubach, H Hasse Fluid Phase Equilibria 523, 112772, 2020 | 86 | 2020 |
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 | 85 | 2018 |
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 | 82 | 2018 |
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 | 80 | 2020 |
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 | 73 | 2017 |
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), 2019 | 71 | 2019 |
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 | 56 | 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 | 54 | 2020 |
ms2: A molecular simulation tool for thermodynamic properties, release 4.0 R Fingerhut, G Guevara-Carrion, I Nitzke, D Saric, J Marx, K Langenbach, ... Computer Physics Communications 262, 107860, 2021 | 50 | 2021 |
Mass transfer through vapour–liquid interfaces: A molecular dynamics simulation study S Stephan, D Schaefer, K Langenbach, H Hasse Molecular Physics 119 (3), e1810798, 2021 | 47 | 2021 |
Molecular interactions at vapor-liquid interfaces: Binary mixtures of simple fluids S Stephan, H Hasse Physical Review E 101 (1), 012802, 2020 | 47 | 2020 |
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 | 46 | 2020 |
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 | 44 | 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 | 36 | 2019 |
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, 1-13, 2018 | 34 | 2018 |
Characteristic curves of the Lennard-Jones fluid S Stephan, UK Deiters International journal of thermophysics 41, 1-24, 2020 | 30 | 2020 |
Molecular Dynamics Study of Wetting and Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on a Planar Wall M Heier, S Stephan, F Diewald, R Müller, K Langenbach, H Hasse Langmuir 37 (24), 7405-7419, 2021 | 29 | 2021 |