Project Team

Prof Reinhard Maurer

Reinhard Maurer's research focuses on the theory and simulation of molecular reactions on surfaces and in materials. He studies the structure, composition, and reactivity of molecules interacting with solid surfaces, with the goal of finding a detailed understanding of the explicit molecular-level dynamics of molecular reactions as they appear in catalysis, photochemistry, and nanotechnology. Members of his research group develop and use electronic structure theory, quantum chemistry, molecular dynamics, and machine learning methods to achieve this.