All Stories

  1. Off-the-shelf DFT-DISPersion methods: Are they now “on-trend” for organic molecular crystals?

    Article • The Journal of Chemical Physics, July 2019, American Institute of Physics

    Dr Philip J Hasnip, Dr Matthew I J Probert, Dawn Geatches

  2. The integrated DL_POLY/DL_FIELD/DL_ANALYSER software platform for molecular dynamics simulations for exploration of the synthonic interactions in saturated benzoic acid/hexane solutions

    Article • Molecular Simulation, January 2019, Taylor & Francis

    Dr Chin W Yong, Dawn Geatches

  3. A perspective on using experiment and theory to identify design principles in dye-sensitized solar cells

    Article • Science and Technology of Advanced Materials, August 2018, Taylor & Francis

    Dawn Geatches