In his lecture, “The Computer as a Microscope – Nanoscale Insights into the Properties of (Aqueous) Liquids in Porous Materials,” Professor Schlaich provided a detailed overview of his research methods and current work. The focus is on computer simulations that make phenomena accessible which are difficult to capture at the nanoscale using conventional methods. These simulations function, so to speak, as a “virtual microscope” and provide molecular insights that complement and explain experimental findings. A key advantage of this approach is that individual influencing factors can be specifically varied within the simulations. Using this methodology, Professor Schlaich’s team investigates phase behavior as well as the structural and dynamic properties of technologically relevant systems, such as liquids in electrically conductive porous materials – research with great potential for materials science and engineering. Hamburg offers him great opportunities for this, according to Schlaich, as the city boasts an outstanding infrastructure in the field of imaging techniques, including Petra III, XFEL, and electron microscopy at the TUHH.
Professor Schlaich then presented his research projects, such as those on salt precipitation at the interface between air, water, and soil materials, or the nanoscale investigation of electrodes like gold. Here, he and his team focused in particular on surface properties and interactions with other molecules or liquids at the atomic level, which are relevant for catalytic processes.
This earlier work forms the basis for Schlaich’s current research in the field of atomistic modeling of materials in aqueous media. As part of the Cluster of Excellence at the TUHH, “BlueMat – Water-Driven Materials,” he is currently focusing on how properties change when water is confined within narrow pores of materials or membranes. In this so-called “confinement,” the structure, dynamics, and thermodynamics of the liquid deviate significantly from their behavior in free solution. In this process, individual effects can be selectively turned on and off to, for example, compare the effect of soft—i.e., structurally flexible—pores with hard materials without altering the chemical properties. Schlaich sees great potential in these models: “We want to learn and understand at the smallest scale and then transfer this knowledge to engineering applications.” Within the framework of BlueMat, this could primarily involve new functional materials for energy storage with optimized energy density.
In his welcoming remarks, the TUHH President highlighted the expertise in multiscale materials modeling that Schlaich brings to the nanoscale. Schlaich’s research optimally supports the TU and its first Cluster of Excellence, BlueMat, and also fits perfectly with the TU’s motto “Engineering to face Climate Change.”
About Prof. Alexander Schlaich
Prof. Alexander Schlaich assumed the professorship “Atomistic Modeling of Materials in Aqueous Media” in October 2024 and has since headed the Institute of Physics of Functional Materials at the Technical University of Hamburg (TUHH). He is also Principal Investigator and Academy Director in the TUHH’s first Cluster of Excellence, “BlueMat – Water-Driven Materials.” Prior to that, he served as an independent group leader at the University of Stuttgart’s Center for Simulation Science (SC SimTech) since 2021, where he was already engaged in research on porous media.
