Maurer, Reinhard J.

“The function of many renewable technologies such as batteries, solar cells and fuel cells originates from the ultrafast dynamic motion of atoms and electrons across materials interfaces. In my research, I study the structure, chemical reactivity and energy conversion processes at materials surfaces and interfaces. I aim to design new materials with ideal properties. To achieve this, I develop and employ novel simulations that combine quantum mechanical predictions with artificial intelligence algorithms.”

• Ultrafast Dynamics at Surfaces and Interfaces
• Hybrid Organic-Inorganic Interfaces
• Electronic Structure Theory
• Machine Learning of Many-Electron Systems
• Property-Driven Inverse Design of Novel Molecules and Materials

• 2005-2010 Diploma in Chemistry with Computational Chemistry, University of Graz, Austria
• 2010-2014 PhD in Theoretical Chemistry, Technical University Munich, Germany
• 2014-2017 Postdoctoral Research Associate, Department of Chemistry, Yale University, USA
• 2017-2020 Assistant Professor of Computational Chemistry, Department of Chemistry, University of Warwick, United Kingdom
• 2020-2022 Associate Professor of Computational Chemistry, Department of Chemistry,  University of Warwick, United Kingdom
• since 2022 Professor of Computational Chemistry & Computational Physics, Department of Chemistry & Department of Physics, University of Warwick, United Kingdom
• since September 2025 Professor of Computational Materials Discovery, University of Vienna