Irmgard Frank

Prof. Dr. rer. nat. Irmgard Frank holds the W2 Professorship for Theoretical Chemistry at the Institute of Physical Chemistry and Electrochemistry, Leibniz University Hannover. With a distinguished career spanning computational chemistry and ab initio molecular dynamics, her research bridges deterministic quantum mechanics, mechanochemistry, and photochemical reaction mechanisms.

• Education: Diploma in Chemistry (LMU Munich, 1993); Ph.D. under Prof. Peyerimhoff (University of Bonn, 1995).

Research Interests: A pioneer in first-principles simulations, she investigates nuclear motion in chemical reactions, mechanochemical bond activation, and photoinduced processes. Her work integrates restricted open-shell Kohn-Sham theory for excited states and explores graphene-based heterostructures for energy applications.

Publications: Her recent articles focus on lithium-sulfur batteries, DNA nucleotide translocation, and classical nuclear dynamics. Collaborations span electrochemistry, nanoscience, and catalysis, emphasizing computational-experimental synergy.

Scientific Awards:

• Bavarian Habilitation Prize (2000)
• DFG Postdoctoral Fellowship (1996–1998)
• German National Academic Foundation Grant (1992–1993)
• Cusanuswerk Scholarship (1990–1993)

Labs & Committees: Leads the Chemical Dynamics Simulation Group and serves on the Executive Board of her institute, Faculty Council of Natural Sciences, and Examination Boards for Chemistry programs.