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 Alexander-von-Humboldt Professor of Theoretical Chemistry at the University of Göttingen, Germany. He also holds positions at the University of Vienna, Austria, and as a Max Planck Fellow at the Max Planck Institute for Multidisciplinary Sciences.

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-present: Alexander-von-Humboldt Professor of Theoretical Chemistry, University of Göttingen, Germany
• 2026-present: Max Planck Fellow at the Max Planck Institute for Multidisciplinary Sciences, Germany
• 2025-present: Professor of Computational Materials Discovery, University of Vienna, Austria
• 2022-2026: 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 surrogate models.

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.