Fundamental Electrochemistry (IET-1)

The department ‘Theoretical Electrochemistry and Data Science’ concentrates on generating synergies between the extensive experimental expertise at the IET-1 and cutting-edge methods of theoretical simulations and data processing. We specifically focus on atomistic studies of interface and surface structures as well as the processes in those challenging environments, which are critical for electrocatalytic and energy storage technologies. We use various methods of multiscale modelling, the latest machine learning, and simulation of spectroscopic techniques.

further Focus Topics

Interfaces and Surfaces

Theoretical Spectroscopy

Members

June 10, 2024

Theoretical Magnetic Resonance Spectroscopy

Elucidating complex energy materials by the synergy of experimental and theoretical magnetic resonance spectroscopy

June 10, 2024

Interfaces and Surfaces

Studying interfaces and surfaces to understand the functionality of energy materials

November 30, 2024

Members

Members of Theoretical Electrochemistry and Data Science

Dr. Simone Swantje KöcherDepartment Head Theoretical Electrochemistry and Data ScienceBuilding 20.13a / Room 203+49 2461/61-1593

Dr. Christoph ScheurerBuilding 10.3 / Room 414+49 2461/61-96400

Theoretical Magnetic Resonance Spectroscopy — Elucidating complex energy materials by the synergy of experimental and theoretical magnetic resonance spectroscopy

Interfaces and Surfaces — Studying interfaces and surfaces to understand the functionality of energy materials

Members — Members of Theoretical Electrochemistry and Data Science