Bernd Engels

Professor Bernd Engels is a distinguished academic at the University of Würzburg, where he serves as Professor of Theoretical Chemistry within the Faculty of Chemistry and Pharmacy. He leads the Chair of Theoretical Chemistry (Quantum Chemistry) at the Institute of Physical and Theoretical Chemistry, located at Emil-Fischer-Straße 42 on the Hubland Nord campus. With an extensive research portfolio spanning theoretical chemistry, quantum chemical calculations, and boron chemistry, Prof. Engels has established himself as a leading figure in computational and theoretical approaches to chemical problems.

Prof. Engels' research focuses on several interconnected areas of theoretical and computational chemistry. His work encompasses quantum chemical calculations of electronically excited states, reaction mechanisms of boron-based catalysts, and theoretical investigations of covalent and non-covalent inhibitors. He has made significant contributions to understanding the inhibition mechanisms of cysteine proteases, developing protocols for the rational design of covalent inhibitors, and exploring the electronic structure of boron-containing compounds. His research integrates advanced computational methods with experimental validation through close collaborations with synthetic and medicinal chemistry groups.

Analysis of Prof. Engels' recent publications reveals a strong emphasis on boron chemistry, particularly in the development of novel boron-containing compounds with unique electronic and structural properties. His work spans from fundamental theoretical investigations of molecular systems to applications in medicinal chemistry and materials science. Key themes include the design of covalent inhibitors for therapeutic applications, the exploration of boron-doped organic electronic materials, and the theoretical characterization of reactive intermediates and diradical systems.

Prof. Engels has supervised numerous doctoral and master's students throughout his career, as evidenced by the extensive list of graduates dating back to 2000. His research has been supported through various collaborations, particularly with groups in Mainz (Prof. Schirmeister) and other institutions, enabling the integration of computational predictions with experimental synthesis and validation.