Selected articles:

• 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, H.M. 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 Vapour-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.

List of Publications on Google Scholar.

Events organized by the working group:

• CECAM Flagship Workshop - Interfacial Properties: Open Questions (IPOQ)

• Workshop on Designing the Conceptual Landscape for a XAIR Validation Infrastructure – under the auspices of the Knowledge Graph Alliance's working group on XAIR principles

• Hackathon on Computational Molecular Thermodynamics 2024 (annual event)