Publikationen

Ausgewählte Artikel:

• S. Stephan, V. Bråten, H. Hasse: Mass transfer at vapor-liquid interfaces of H2O + CO2 mixtures studied by molecular dynamics simulation,  Journal of Non-Equilibrium Thermodynamics , in press (2024)  DOI .
• I. Nitzke, S. Stephan, J. Vrabec: Topology of thermodynamic potentials using physical models: Helmholtz, Gibbs, Grand, and Null,  The Journal of Chemical Physics  160, 21 (2024)  DOI .
• F. Fleckenstein, S. Stephan, H. Hasse: Elucidating the Behavior of the SARS-CoV-2 Virus Surface at Vapor-Liquid Interfaces using Molecular Dynamics Simulation,  Proceedings of the National Academy of Sciences of the United States of America (PNAS)  121, 13, e2317194121 (2024)  DOI .
• J. Lenhard, S. Stephan, H. Hasse: A Child of Prediction. On the History, Ontology, and Computation of the Lennard-Jonesium,  Studies in History and Philosophy of Science  103, 105-113 (2024)  DOI .
• S. Schmitt, H. Hasse, S. Stephan: Entropy Scaling Framework for Transport Properties using Molecular-based Equations of State,  Journal of Molecular Liquids  395, 123811 (2024)  DOI .
• S. Stephan, S. Schmitt, H. Hasse, HM Urbassek: Molecular dynamics simulation of the Stribeck curve: Boundary lubrication, mixed lubrication, and hydrodynamic lubrication on the atomistic level,  Friction  11, 2342-2366 (2023)  DOI .
• M. Urschel, S. Stephan: Determining Brown's Characteristic Curves Using Molecular Simulation,  Journal of Chemical Theory and Computation  19, 5, 1537–1552 (2023)  DOI .
• R. Fingerhut, G. Guevara-Carrion, I. Nitzke, D. Saric, J. Marx, K. Langenbach, S. Prokopev, D. Celný, M. Bernreuther, S. Stephan, M. Kohns, H. Hasse, J. Vrabec: ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 4.0,  Computer Physics Communication  45, 107860 (2021)  DOI .
• S. Stephan, H. Hasse: Enrichment at Vapor-Liquid Interfaces of Mixtures: Establishing a Link between Nanoscopic and Macroscopic Properties,  International Reviews in Physical Chemistry  39, 3, 319-349 (2020)  DOI .
• S. Stephan, M. Horsch, J. Vrabec, H. Hasse: MolMod - an Open Access Database of Force Fields for Molecular Simulations of Fluids,  Molecular Simulation  45, 10, 806-814 (2019)  DOI .
• S. Schmitt, H. Hasse, S. Stephan: Entropy scaling for diffusion coefficients in fluid mixtures,
  Nature Communications 16, 1, 2611 (2025)  DOI .
• S. Stephan, M. Thol, J. Vrabec, H. Hasse: Thermophysical properties of the Lennard-Jones fluid: Database and data assessment, Journal of Chemical Information and Modeling 59, 10, 4248–4265 (2019)  DOI .
• S. Stephan, J. Staubach, H. Hasse: Review and comparison of equations of state for the Lennard-Jones fluid,
  Fluid Phase Equilibria 523, 112772 (2020)   DOI .
• S. Stephan, J. Liu, K. Langenbach, W. G. Chapman, H. Hasse: Vapor–liquid interface of the Lennard-Jones truncated and shifted fluid: comparison of molecular simulation, density gradient theory, and density functional theory, The Journal of Physical Chemistry C 122, 43, 24705–24715 (2018)   DOI .

 

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