I am a quantum chemist, specializing in electronic structure theory with a focus on molecular reaction mechanisms, spectroscopy, and materials properties.
Currently working at Bundesanstalt für Materialforschung und -prüfung in Berlin as a Senior Data Scientist, focusing on data modeling and interoperability in materials science. Most of what I build is about lowering the barrier: tools that take the semantic heavy lifting off people's hands, so they can get to the science faster.
mermantics A place where domain experts and data scientists design data models together. You just draw how your process or data fits together, and mermantics handles the semantics in the background. There's a general mode for process modelling, plus modes for specific communities like materials science, where your model gets checked against an ontology as you go. Try it in the browser
Schema Studio An explorer and editor for materials science data models. It reads the NOMAD schemas and BAM masterdata through LinkML and draws them as diagrams you can click through and edit. The browser version runs fully client side with Pyodide, so there's nothing to install. Try it in the browser
schematerial (early stage) Every platform describes the same sample or calculation a bit differently. schematerial is my attempt at a translation layer: it proposes crosswalks between data models, with AI agents doing the first pass and a human signing off.