Bettina G. Keller

Prof. Dr. Bettina G. Keller is a Professor for Theoretical Chemistry at Freie Universität Berlin, Department of Biology, Chemistry, Pharmacy, where she leads the Keller Lab within the Chemistry and Biochemistry section. She has held this position since October 2019, following her role as Junior Professor for Theoretical Chemistry from 2013 to 2019. Her research group includes multiple postdoctoral researchers, PhD candidates, and master's students working on advanced computational approaches to chemical and biological problems.

Her research focuses on molecular simulation and modeling, particularly in areas of allostery, chemical reactions, density-based clustering, dynamical reweighting, kinetic models, and Markov models. Dr. Keller's work bridges theoretical chemistry with practical applications in biochemistry and materials science, as evidenced by her publications on peptide hydrogels, bacterial toxins, and molecular association. Her lab develops computational methods that enhance our understanding of complex molecular systems and their dynamic behavior.

Analysis of her recent publications reveals a strong emphasis on developing and validating computational methodologies for studying biomolecular systems. Her work spans from fundamental theoretical developments in rate theories and Markov models to applied studies of bacterial virulence factors, peptide hydrogels, and enzyme probes. This demonstrates her ability to connect theoretical frameworks with experimentally relevant biological and chemical systems.

Scientific Recognition:

• Hans G. A. Hellmann-Preis for Theoretical Chemistry
• Member of Die Junge Akademie (2016-2022)
• Participant in 63rd Lindau Nobel Laureate Meeting (2013)
• CBSB11 Outstanding Young Researcher Award (2011)
• Multiple prestigious fellowships including Studienstiftung des deutschen Volkes

Dr. Keller actively mentors numerous PhD students and postdoctoral researchers, with several alumni who have completed their PhDs under her supervision. She is currently organizing the 61st Symposium on Theoretical Chemistry (STC 2025) at Freie Universität Berlin, demonstrating her leadership in the theoretical chemistry community. Her laboratory maintains strong collaborative connections and develops computational tools that advance the field of molecular simulation.