Dimitrios Manganas

Dimitrios Manganas serves as Research Group Leader at the Max Planck Institute for Chemical Energy Conversion (MPI-CEC) in Mülheim an der Ruhr, Germany. His research focuses on developing advanced experimental and theoretical spectroscopic methodologies to study heterogeneous catalytic reactions, addressing the fundamental challenge of identifying catalytically active structures and intermediates.

His primary research interests include:

• Molecular Theory and Spectroscopy
• Advanced Experimental and Theoretical Spectroscopy
• Theoretical X-Ray Spectroscopy
• Accurate Ground and Excited State Energetics for Solid Systems
• Theoretical Spectroscopic Protocols for Catalysis

Manganas has developed computational protocols including restricted open shell configuration interaction singles methods (ROCIS and PNO-ROCIS), complete active space configuration interaction (CASCI/NEVPT2), multireference configuration interaction (MRCI), and multireference equation of motion coupled cluster (MREOM-CC) methods. His work uniquely correlates spectroscopic properties to electronic structure and geometric properties of target materials under both equilibrium and operando conditions.

His publication record from 2013-2019 demonstrates significant contributions to computational chemistry and catalysis, with particular focus on X-ray spectroscopy methods and accurate energetics calculations for solid-state systems. The research shows strong interdisciplinary collaboration between theoretical and experimental groups within the MPI network.

Manganas maintains active collaborations with key researchers including Prof. Serena DeBeer (X-Ray spectroscopy), Prof. Robert Schlögl (heterogeneous reactions), and Dr. Eckhard Bill (Mossbauer & MCD), reflecting the highly collaborative nature of modern catalysis research at the Max Planck Institutes.