Computational Modelling Group


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Control and Prediction of the Organic Solid State

Richard Boardman

This project aims to produce a computer technology for the prediction of the crystal structure(s) of an organic molecule, that could be used even prior to the synthesis of the compound.

Such a computational study could be done relatively quickly to predict the dangers and opportunities of the solid phases of a molecule under development. Our project will develop the methods of experimental screening for polymorphs and their characterisation, and hence the combination will provide a major new technology for aiding industrial formulation.


Andrew Collins
Professor, Medicine (FM)
Richard Boardman
Senior Research Fellow, Engineering Sciences (FEE)
Jess Jones
Technical Staff, iSolutions
Petrina Butler
Administrative Staff, Research and Innovation Services
Oz Parchment
Enterprise staff, iSolutions