Müller Group

Prof. Dr. Carolin Müller

Department of Chemistry and Pharmacy
Juniorprofessur für die Theorie elektronisch angeregter Zustände

Room: Room CCC 2.201b
Nägelsbachstr. 25
91052 Erlangen

Section

Theoretical and Computer Chemistry

Research areas

Molecular materials:
Energy

Molecular and material modeling for solar energy conversion

Modeling excited-state processes and reactions triggered by light absorption or energy transfer

Molecular materials:
Sustainability

Efficient workflows for predicting photoinduced processes and reactions

Bioactive Compounds:
Compound discovery

Creation of computational chemistry databases

Machine learning for molecular and material design

Member of:

FAU Profile Center New Materials and Processes (FAU NMP)

FAU Profile Center Solar (FAU Solar)

FAU Competence Center Engineering of Advanced Materials (FAU EAM)

Computer Chemistry Center (CCC)

 

Research Focus

The research in Prof. Carolin Müller’s Computational PhotoChemistry Group focuses on the fascinating field of light-induced physical processes and chemical reactions, ranging from electron transfer processes to isomerization. By using advanced computational methods, the mechanisms behind photoinduced phenomena are revealed. A central focus is on the control and optimization of light-driven processes to achieve increased reactivity and efficiency. This research direction is interdisciplinary in nature and not only combines approaches from quantum chemistry and chemoinformatics, but also works closely with experimental, spectroscopic research groups.