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SUMMARY:The Challenges to Theory of Predicting the Crystallisation of Orga
 nic Molecules - Professor Sally Price\, University College London
DTSTART:20171115T141500Z
DTEND:20171115T151500Z
UID:TALK75641@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:The control of crystallisation of organic molecules\, such as 
 pharmaceuticals\, is a major industrial concern. It could be aided by comp
 utational prediction of the crystal structures and their properties. Compa
 risons with experimental results for a variety of molecules show that the 
 approximations that we currently make in modelling inter- and intramolecul
 ar forces\, and in the theories for calculating properties\, are not yet r
 eliably accurate enough. Indeed\, we do not yet understand what determines
  which low energy structures will be observed polymorphs.
LOCATION:Department of Chemistry\, Cambridge\, Unilever lecture theatre
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