Dr Dewi Lewis

Research summary

The ultimate success for a materials synthesis programme would be to first determine the structure we would like to make – with particular properties, such as shape-selective catalysis – which we would then predict how to make and then simply synthesise! As part of this effort, we are trying to both develop tools to aid with the synthesis design – through our template design efforts – and to develop an understanding of the self-assembly processes that occur during such syntheses. We employ a range of methods as appropriate – from ab initio modelling of key nucleation steps to forcefield-based Monte Carlo and de novo molecular assembly methods.

Keywords

Framework Materials, Microporous Materials, Adsorption, Molecular Adsorption

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