👩‍🔬 I am an acting division head of the division "Digital Materials Chemistry" at the Federal Institute for Materials Research and Testing (Bundesanstalt für Materialforschung und -prüfung) in Berlin, Germany, and I develop code to do materials science. Since September 2023, I am also a Professor for Materials Informatics at FSU Jena (https://www.uni-jena.de/).

⚛️ I am searching for new materials with desired properties for thermoelectric materials, solar cells, and batteries. I aim at understanding materials properties with the help of bonding analysis (🦞) and coordination environments. For example, I have assessed the predictive power of the Pauling rules. We have also developed a code to automatically perform bonding analysis: LobsterPy 🦞🐍, and we are co-developing a tool to fit machine-learned interatomic potentials automatically: autoplex. Please find the github organization repo here: https://github.com/DigiMatChem.

👩‍💻 I have contributed to pymatgen, custodian, atomate, and atomate2. I am currently part of the Materials Project Software Foundation. I have also developed some smaller packages to analyse phonons.

📃 You can find a list of my publications here.

💻 My website contains more info. And, you can find me on LinkedIn

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