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Complex Catalytic Materials

We use theoretical calculations to understand the structure and surface chemistry of complex heterogeneous catalysts.

Molecular Devices
(mechanical and electronic)

The development and commercialization of molecular machines (nano devices) suffers from the lack of a process akin to macroscopic iterative design engineering - the ability to predict the consequences of a proposed change in design. We aim to develop this capability, through application of a combination of quantum chemistry and statistical methods.

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