Thomas Bligaard

Thomas Bligaard is a Professor at the Technical University of Denmark (DTU) in the Department of Energy Conversion and Storage. His research focuses on atomic-scale materials modeling, heterogeneous catalysis, and computational methods such as density functional theory (DFT), machine learning, and micro-kinetic modeling. He leads the Atomic Scale Materials Modelling group and contributes to the Center for Catalysis Theory and the VISION Center for Visualizing Catalytic Processes.

Research interests include designing functional materials for energy applications, optimizing catalytic processes, and advancing computational tools like the GPAW software package. His work addresses challenges in CO2 reduction, electrocatalysis, and catalyst discovery. Collaborations span theoretical and experimental studies, with a focus on sustainable energy solutions aligned with UN Sustainable Development Goals.

Recent projects include benchmarking water adsorption on metal surfaces, developing machine learning approaches for catalyst optimization, and imaging atomic processes in catalysts using advanced microscopy techniques. He supervises multiple PhD students in catalysis and computational materials science.

Bligaard has published extensively on topics ranging from theoretical catalysis to computational methods, with a strong emphasis on bridging theory and experimental validation. His research aims to accelerate the discovery of clean energy materials through interdisciplinary approaches.