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Research project

Nitridic and Carbidic Interstitial Pd Nanoparticles for Directed Catalysis


Lead researcher

Doctor Peter Wells

Associate Professor

Research interests

  • Heterogeneous Catalysis
  • Operando Spectroscopy

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Other researchers

Doctor Marina Carravetta

Associate Professor

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Professor Chris Skylaris

Professor of Computational Chemistry

Research interests

  • We are interested in the computational study of chemical processes, especially in problems involving nanostructures and biological molecules. In these problems it is important to be able to provide an accurate description of the interactions between large numbers of atoms. To achieve this we develop theory and computer algorithms for large-scale quantum mechanical calculations as well as hybrid quantum mechanical - classical mechanical (QM/MM) simulation techniques. Many of our developments are incorporated into the ONETEP program which is also used by other researchers in academia and industry.

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Collaborating research institutes, centres and groups

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