Prof. Dr. Reinhard J. Maurer

Prof. Dr. Reinhard J. Maurer leads the Computational Surface Science Group, focusing on theoretical and computational methods to understand the chemistry and physics of surfaces and interfaces.

Current Position

Reinhard is a Professor in the Department of Chemistry and Department of Physics at the University of Warwick, UK. He also holds positions at the University of Vienna, Austria, and will be joining the University of Göttingen, Germany in March 2026.

Research Focus

His research concentrates on understanding surfaces and interfaces at the atomic scale using advanced theoretical and computational methods. Key areas include:

• Hybrid Organic-Inorganic Interfaces: Understanding how molecules interact with solid surfaces
• Surface Dynamics: Studying how atoms and molecules move on surfaces
• Light-Matter Interactions: Investigating photocatalysis and light-driven surface processes
• Theoretical Spectroscopy: Developing computational methods to interpret experimental spectra
• Materials Discovery: Using atomistic simulations to design new materials

Career

• 2026-presnt Alexander-von-Humboldt Professor of Theoretical Chemistry, University of Göttingen, Germany
• 2025-present: Professor of Computational Materials Discovery, University of Vienna, Austria
• 2022-present: Professor of Computational Chemistry and Computational Physics, University of Warwick, UK
• 2020-2022: Associate Professor of Computational Chemistry, University of Warwick, UK
• 2017-2020: Assistant Professor of Computational Chemistry, University of Warwick, UK
• 2014-2017: Postdoctoral Associate, Yale University (Prof. John C. Tully’s group)
• 2010-2014: Doctoral Candidate, Technische Universität München (Prof. Karsten Reuter’s group)

Research Group

The Maurer group is highly interdisciplinary, combining expertise in chemistry, physics, materials science, and machine learning to tackle fundamental questions about how matter behaves at interfaces. The group develops and applies cutting-edge computational methods including density functional theory, molecular dynamics simulations, and machine learning potentials.

Education and Training

His PhD research at TU München focused on the dynamics of surface-adsorbed molecular switches, while his diploma thesis at the University of Graz examined cellulose surface adsorption. His postdoctoral work at Yale University with Prof. John C. Tully further developed his expertise in surface dynamics and nonadiabatic processes.