Graeme M. Day Research Group

Our research focusses on developing our fundamental understanding of the molecular organic solid state, with the goal of discovering and designing new materials. This research is underpinned by modern simulation methods, including the ab initio prediction of crystal structures.

Recent Publications

  • Predicted energy-structure-function maps for the evaluation of small molecule organic semiconductors

    J. Materials Chemistry C, 5, 7574-7584 (2017).

  • Static and lattice vibrational energy differences between polymorphs

    CrystEngComm, 17, 5154-5165 (2015).