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General infoThe Theory Group is part of the Schuit Institute of Catalysis, theNetherlands Graduate School of Catalysis Research, and the National Research School Catalysis. It may be clear from this that the research subjects of the Theory Group are in catalysis. More specifically we do theoretical research in heterogeneous catalysis. We are mainly interested in transition metal catalysts and zeolites, but other systems are studied occasionally as well. Most Ph.D. students and postdocs in the Theory Group are doing electronic structure calculations: in particular, Density Functional Theory (DFT) calculations of cluster models and periodic DFT calculations. Dynamic Monte Carlo (DMC) simulations of the kinetic of catalytic processes is a newer research topic with an increasing number of people participating. Molecular and Vibrational Dynamics is the third area in terms of number of people involved. More information on the systems that we are studying and the methods and programs that we use can be obtained from the list of projects, the list of publications, the list of software, and the personal webpages of the people in the group. How to contact us or visit us:
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