Comparison of force fields for the prediction of thermophysical properties of long linear and branched alkanes S Schmitt, F Fleckenstein, H Hasse, S Stephan The Journal of Physical Chemistry B 127 (8), 1789-1802, 2023 | 38 | 2023 |
Molecular dynamics simulation of the Stribeck curve: Boundary lubrication, mixed lubrication, and hydrodynamic lubrication on the atomistic level S Stephan, S Schmitt, H Hasse, HM Urbassek Friction 11 (12), 2342-2366, 2023 | 35 | 2023 |
Molecular dynamics simulation study of heat transfer across solid–fluid interfaces in a simple model system S Schmitt, T Vo, MP Lautenschlaeger, S Stephan, H Hasse Molecular Physics 120 (10), e2057364, 2022 | 26 | 2022 |
Measurement, modelling, and application of lubricant properties at extreme pressures P Wingertszahn, S Schmitt, S Thielen, M Oehler, B Magyar, O Koch, ... Tribologie und Schmierungstechnik 70 (4+ 5), 5-12, 2023 | 10 | 2023 |
Entropy scaling framework for transport properties using molecular-based equations of state S Schmitt, H Hasse, S Stephan Journal of Molecular Liquids 395, 123811, 2024 | 7 | 2024 |
Extension of the MolMod Database to Transferable Force Fields S Schmitt, G Kanagalingam, F Fleckenstein, D Froescher, H Hasse, ... Journal of Chemical Information and Modeling 63 (22), 7148-7158, 2023 | 7 | 2023 |
Molecular simulation study on the influence of the scratching velocity on nanoscopic contact processes S Schmitt, S Stephan, B Kirsch, JC Aurich, E Kerscher, HM Urbassek, ... 2nd International Conference of the DFG International Research Training …, 2021 | 7 | 2021 |
Diffusion coefficients in mixtures of poly (oxymethylene) dimethyl ethers with alkanes S Mross, S Schmitt, S Stephan, K Münnemann, H Hasse Industrial & Engineering Chemistry Research 63 (3), 1662-1669, 2024 | 5 | 2024 |
Data scheme and data format for transferable force fields for molecular simulation G Kanagalingam, S Schmitt, F Fleckenstein, S Stephan Scientific Data 10 (1), 495, 2023 | 5 | 2023 |
Measurements and Equation of State Modeling of the Density of Five 1-Alcohols (C6–C10) at Pressures of up to 120 MPa S Schmitt, H Hasse, S Stephan Journal of Chemical & Engineering Data 69 (9), 2967-2983, 2024 | 3 | 2024 |
Explosions of nanodroplets studied with molecular dynamics simulations D Schaefer, B Kunstmann, S Schmitt, H Hasse, M Kohns Physics of Fluids 36 (3), 2024 | 1 | 2024 |
Molecular Dynamics Simulation of Cutting Processes: The Influence of Cutting Fluids at the Atomistic Scale S Schmitt, S Stephan, B Kirsch, JC Aurich, HM Urbassek, H Hasse International Research Training Group Conference on Physical Modeling for …, 2023 | | 2023 |
A Molecular Dynamics Simulation Study of the Kapitza Heat Transfer Resistance S Schmitt, S Stephan, H Hasse 2022 AIChE Annual Meeting, 2022 | | 2022 |
2nd International Conference of the DFG International Research Training Group 2057–Physical Modeling for Virtual Manufacturing C Garth, JC Aurich, B Linke, R Müller, B Ravani, GH Weber, B Kirsch | | 2021 |
Supporting Information: Diffusion Coefficients in Mixtures of Poly (oxymethylene) Dimethyl Ethers (OME) with Alkanes S Mross, S Schmitt, S Stephan, K Münnemann, H Hasse | | |