My research focuses on the multiscale modeling of interfacial phenomena in tribological and electrochemical systems. I combine continuum approaches (finite element solutions of coupled Poisson-Nernst-Planck equations), atomistic simulations (molecular dynamics, DFTB, and DFT), and data-driven methods to understand friction, adsorption, lubrication, and electrochemical double layers at rough and chemically complex interfaces.
A central theme of my work is the frictional behavior of surfactant adsorption films and electrolyte-lubricated contacts under mechanical and electrical stimuli. I develop reproducible, high-performance computational workflows for large-scale simulations and integrate research data management as a core scientific principle. Beyond physics-based modeling, I apply Gaussian process regression and classification to predict surface performance from topographical descriptors, bridging fundamental simulation with industrial surface engineering applications.
My long-term research vision is to establish reproducible, multiscale digital twins of functional interfaces by tightly coupling physics-based simulation, machine learning, and FAIR research data infrastructures.
External link
Degree
Degree
4
Dr. rer. nat. (Microsystems Engineering)
(
2025.7
University of Freiburg
)
Master of Science (Engineering Science)
(
2017.3
Technische Universität Berlin
)
Master of Mechanical Engineering
(
2017.1
Tsinghua University
)
Bachelor of Science (Physics)
(
2012.9
Freie Universität Berlin
)
JOURNAL OF CHEMICAL PHYSICS
Vol.
158
(
24
)
2023.6
More details
Publisher:Journal of Chemical Physics
We use molecular dynamics simulations to study the frictional response of monolayers of the anionic surfactant sodium dodecyl sulfate and hemicylindrical aggregates physisorbed on gold. Our simulations of a sliding spherical asperity reveal the following two friction regimes: at low loads, the films show Amonton's friction with a friction force that rises linearly with normal load, and at high loads, the friction force is independent of the load as long as no direct solid-solid contact occurs. The transition between these two regimes happens when a single molecular layer is confined in the gap between the sliding bodies. The friction force at high loads on a monolayer rises monotonically with film density and drops slightly with the transition to hemicylindrical aggregates. This monotonous increase of friction force is compatible with a traditional plowing model of sliding friction. At low loads, the friction coefficient reaches a minimum at the intermediate surface concentrations. We attribute this behavior to a competition between adhesive forces, repulsion of the compressed film, and the onset of plowing.
We study the frictional response of water-lubricated gold electrodes subject to an electrostatic potential difference using molecular dynamics simulations. Contrary to previous studies on electrotunable lubrication that were carried out by fixing the charges, our simulations keep electrodes at fixed electrostatic potential using a variable charge method. For pure water and NaCl solutions, viscosity is independent of the polarization of the electrodes, but wall slip depends on the potential difference. Our findings are in agreement with previous analytical theories of how wall slip is affected by interatomic interactions. The simulations shed light on the role of electrode polarization for wall slip and illustrate a mechanism for controlling friction and nanoscale flow in simple aqueous lubricants.
Reproducible molecular simulations of sliding on SDS surfactant films with dtool and dserver, a flexible ecosystem for distributed data management
International conference
Hörmann, J. L.
ASIATRIB2024 & CICT2024: 7th Asia International Conference on Tribology & 9th China International Conference on Tribology
2024.9
Academic Evaluation Center (APS), joint institution of the German Embassy's cultural department and the German Academic Exchange Service (DAAD)
2017.2-2023.9