• March, 2012

    Ed Pyzer-Knapp wins poster prize

    Ed Pyzer-Knapp (2nd from right in photo below) won the prize for the best poster at the BP Materials and Inorganic Chemistry Graduate Student Seminar day on 8 March. His poster, 'Crystal structure prediction of porous molecular materials by global lattice energy minimisation', described crystal structure prediction studies of a series of cage molecules designed to yield porous crystal structures.

    Ed BP poster prize

  • January, 2012

    Postdoctoral position available

    A postdoctoral position is available in the group to develop computational methods for understanding and predicting reaction equlibria in solid state reactions. For more details, see
    Closing date: 7 March, 2012.
  • January, 2012

    Paper highlighted in Nature Chemistry

    James Wuest has written a highlight in Nature Chemistry of our Angewandte Chemie paper on cocrystallisation as a strategy for tuning the luminescence of molecular crystals.


  • December, 2011

    EPSRC grant awarded for research on "Directed Covalent Assembly in the Solid State: towards Predictable Solvent-free Synthesis"

    We have been awarded a grant from the EPSRC for work in collaboration with Prof. Jeremy Sanders to study thermodynamically controlled solid-state synthesis. Our work will develop computational methods for predicting the equilibrium between reactant and products in the solid state.
  • November, 2011

    Edward Pyzer-Knapp awarded NanoDTC associate student travel grant

    Edward Pyzer-Knapp has been awarded a NanoDTC Associate Student Travel Grant. For more information, see
  • September, 2011

    Andreas Stegmuller completes MPhil viva

    Andreas completed his MPhil viva on computational studies of structures of organic molecular monolayers on graphite and graphene surfaces.
  • August, 2011

    Graeme on the radio

    Graeme was interviewed on the BBC's The Naked Scientists show on 'Chemistry by Design'. To listen to the podcast or read the transcript, see:
  • August, 2011

    Former group member awarded fellowship

    Dr Aurora Cruz-Cabeza, who completed her PhD in the group, has been awarded a prestigious NWO VENI postdoctoral research fellowship, which she will hold in the Van 't Hoff Institute for Molecular Sciences at the University of Amsterdam to continue her studies of the crystallisation of small organic molecules.
  • July, 2011

    Paper highlighted in Nature Materials

    Neil McKeown has written a highlight in Nature Materials of our Nature paper on predictable molecular crystals.