DTU Energi
DTU Fysik
Thomas Bligaard

Thomas Bligaard

Professor

Department of Energy Conversion and Storage

Technical University of Denmark

Fysikvej

Building 311, room 003

2800 Kgs. Lyngby

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Keywords Machine learning/AI | Materials Design | Heterogeneous Catalysis | Density Functional Theory | Statistical Mechanics | Micro Kinetic Modelling | Rate Theory | Optimization Algorithmus | Surface Science | Exchange-correlation Functionals | Numerical methods and algorithms

 

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. The methodologies I utilize are primarily machine learning, quantum mechanics, density functional theory, numerical analysis, statistical mechanics, micro kinetic modeling, and rate theory.

Research:

https://publons.com/researcher/2815912/thomas-bligaard/publications/