- Mechanochemistry of Covalent Bond Breaking from First Principles Simulations
- Deciphering the Mysteries of Mechanically Controlled Chemical Reactions in Aqueous Solution
- Theoretical Heterogeneous Catalysis from Advanced Ab Initio Molecular Dynamics Simulations
- Theoretical Infrared Spectroscopy of Solvated Biomolecules
- Mechanical Stress Pulls Cyclization into Shape
- Theoretische Mechanochemie
- Understanding THz spectroscopy of solvation shells
- Microsolvation effects on protonated water clusters: Hydronium and Zundel Cations
- Neural network potentials for chemical reactions
- Prebiotic peptide synthesis in water at extreme conditions
- Magnetic Effects in Iron-Sulfur Proteins
- Interfacial water in biology: Peptide dynamics of biomimetic Elastin
- Interfacial water in biology: Protons in Bacteriorhodopsin
- CH5+: a floppy molecule "in action"
- Photochemische Reaktionen im „virtuellen Labor“: Vom Lichtblitz zum Lichtblick
- Wasser – mehr als ein Lösungsmittel: Das Eis ist heiß
- Wie Moleküle an Oberflächen haften: Im chemischen Gang die Wände entlang
- Simulating photochemistry by nonadiabatic dynamics
- "Virtual" atomic force microscopy: AFM on the computer
- You are looking at a "dancing proton that tunnels in imaginary time"…
- Chemical bonding: from small clusters to metallic solids
- Protonenwanderung im virtuellen Labor
