Researcher profile

Michael Selzer

Michael Selzer contributes to research discovery and scholarly infrastructure.

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Published work

4 published item(s)

preprint2026arXiv

Accelerating battery research with an AI interface between FINALES and Kadi4Mat

The time-consuming formation process critically impacts the longevity of sodium-ion coin cells and End Of Life (EOL) performance. This study aims to optimize formation protocols for duration efficiency, targeting high-performance outcomes while minimizing the number of experiments to reduce resource consumption and accelerate discovery. Specifically, we consider two potentially competing objectives: minimizing formation time and maximizing EOL performance. Beyond this application focus, we also present a methodological contribution: a framework designed to enable interoperability between the FINALES and Kadi RDM ecosystems, which we employ to tackle our optimization problem. In this setup, the FINALES framework orchestrates experiment planning and execution on the POLiS MAP, while an active-learning agent implemented within Kadi4Mat guides experiment selection, using multi-objective batched Bayesian optimization to efficiently explore the parameter space. This interoperability enhancement enables coordinated, distributed collaboration across automated systems and human-operated workflows, bridging multiple research centers. Using this approach, we iteratively explore the trade-off between formation time and EOL performance and identify candidate solutions approximating the Pareto front. The resulting workflow demonstrates the capability of interoperable infrastructures to facilitate data-driven optimization in battery research, and establishes a transferable framework applicable to diverse materials science and engineering optimization tasks.

preprint2026arXiv

KadiAssistant: A conversational AI Agent for information retrieval in Kadi4Mat

We introduce KadiAssistant, a privacy-by-design AI assistant integrated into the Kadi research data ecosystem, enabling researchers to efficiently access, aggregate, and synthesize information from heterogeneous, privacy-sensitive research data. Interdisciplinary fields such as materials science bring together disciplines with their own terminology and standards. While this convergence fuels innovation, it also makes it increasingly difficult to connect and access knowledge, as data are distributed across disciplines, organizations, and individuals. For example, battery research combines electrochemical measurements, materials characterization data, physics-based simulations, and manufacturing parameters, each using different formats, vocabularies, and standards. Efficiently storing and sharing such heterogeneous data via research data platforms, such as Kadi4Mat, demands domain knowledge, technical expertise, and familiarity with metadata schemas and interfaces. Research data also vary in sensitivity: newly generated 'warm' data are often private, whereas published 'cold' data are usually openly accessible. The Kadi ecosystem offers fine-grained access control needed for sensitive data. A solution for efficient information retrieval in Kadi must therefore respect the fine-grained access permissions. To address these intertwined challenges of information retrieval, strong data privacy, and complex access control, KadiAssistant combines a self-hosted large language model (LLM) with a privacy-preserving semantic search, inspired by retrieval-augmented generation, that can access files and record metadata on Kadi. This allows the assistant to screen, aggregate, and structure information into a highly informative answer. KadiAssistant therefore bridges terminology and standards, lowers access barriers for researchers, and strengthens the Findable pillar of FAIR data principles.

preprint2013arXiv

Phase-field study of grain boundary tracking behavior in crack-seal microstructures

In order to address the growth of crystals in veins, a multiphase-field model is used to capture the dynamics of crystals precipitating from a super-saturated solution. To gain a detailed understanding of the polycrystal growth phenomena in veins, we investigate the influence of various boundary conditions on crystal growth. In particular, we analyze the formation of vein microstructures resulting from the free growth of crystals as well as crack-sealing processes. We define the crystal symmetry by considering the anisotropy in surface energy to simulate crystals with flat facets and sharp corners. The resulting growth competition of crystals with different orientations is studied to deduce a consistent orientation selection rule in the free-growth regime. Using crack-sealing simulations, we correlate the grain boundary tracking behavior depending on the relative rate of crack opening, opening trajectory, initial grain size and wall roughness. Further, we illustrate how these parameters induce the microstructural transition between blocky (crystals growing anisotropically) to fibrous morphology (isotropic) and formation of grain boundaries. The phase-field simulations of crystals in the free-growth regime (in 2D and 3D) indicate that the growth or consumption of a crystal is dependent on the orientation difference with neighboring crystals. The crack-sealing simulation results (in 2D and 3D) reveal that crystals grow isotropically and grain boundaries track the opening trajectory if the wall roughness is high, opening increments are small and crystals touch the wall before the next crack increment starts. Further, we find that within the complete crack-seal regime, anisotropy in surface energy results in the formation of curved/oscillating grain boundaries (instead of straight) when the crack opening velocity is increased and wall roughness is not sufficiently high.

preprint2013arXiv

Three-dimensional phase-field study of crack-seal microstructures - Insights from innovative post-processing techniques

Numerical simulations of vein evolution contribute to a better understanding of processes involved in their formation and possess the potential to provide invaluable insights into the rock deformation history and fluid flow pathways. The primary aim of the present article is to investigate the influence of a realistic boundary condition, i.e. an algorithmically generated fractal surface, on the vein evolution in 3-D using a thermodynamically consistent approach, while explaining the benefits of accounting for an extra dimensionality. The 3-D simulation results are supplemented by innovative numerical post-processing and advanced visualization techniques. The new methodologies to measure the tracking efficiency demonstrate the importance of accounting the temporal evolution; no such information is usually accessible in field studies and notoriously difficult to obtain from laboratory experiments as well. The grain growth statistics obtained by numerically post-processing the 3-D computational microstructures explain the pinning mechanism which leads to arrest of grain boundaries/multi-junctions by crack peaks, thereby, enhancing the tracking behavior.