Thomas  Bligaard

Thomas Bligaard

Professor

DTU ENERGY
Department of Energy Conversion and Storage

Technical University of Denmark

Fysikvej

Building 311, room 003

2800 Kgs. Lyngby

E-mail tbli@dtu.dk

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Keywords Materials Design | Heterogeneous Catalysis | Density Functional Theory | Statistical Mechanics | Micro Kinetic Modelling | Rate Theory | Optimization Algorithmus | Surface Science | Exchange-correlation Functionals

 

My research goals are to understand and to design functional materials through the use of atomic-scale computer simulations and to establish the tools to do so. Besides a number of basic research projects, I work on a range of applied projects contracted by industrial partners. The methodologies I utilize are primarily quantum mechanics, density functional theory, statistical mechanics, micro kinetic modeling, and rate theories.