Carolin Müller

Prof. Carolin Müller is an Assistant Professor of the Theory of Electronically Excited States at Friedrich-Alexander-University Erlangen-Nürnberg (FAU), leading the Computational PhotoChemistry (CPC) group since November 2023. Her research focuses on quantum chemistry, chemoinformatics, and spectroscopy, aiming to develop efficient computational methods for predicting light-driven chemical processes. She holds a PhD from Friedrich Schiller University Jena (2021) and postdoctoral experience at the University of Luxembourg (2022–2023) and Friedrich Schiller University Jena (2021–2022).

Her work emphasizes machine learning integration for optimizing photochemical reactions and designing photocatalysts. Key achievements include contributions to the TEA Challenge 2023 on machine learning force fields and developing the SpaiNN model for excited-state simulations. Awards include the Thuringian Research Award (2023) and the Albert-Weller Award (2022).

• Research Interests: Light-driven processes, molecular design, excited-state dynamics, computational chemistry.
• Publications: Over 50 peer-reviewed articles, including high-impact contributions on machine learning in chemistry and photocatalytic systems.
• Grants/Awards: Multiple accolades for her innovative work in chemical compound space exploration and photocatalysis.
• Labs/Teams: CPC group at FAU, collaborating with institutions like the University of Luxembourg and Jena.

Müller actively promotes interdisciplinary collaboration through conferences (e.g., Chemical Compound Space Conference 2026) and mentoring initiatives like the ARIADNE program.