Frenkel Research Group   |   Department of Chemistry

Research in the Frenkel group focuses on the numerical exploration of routes to design novel, self-assembling structures and materials. In particular, the group is interested in the possibilities that bio-molecular recognition and motor action offer to create complex, nano-structured materials.

Our primary research interests include:

  • Developing novel Monte Carlo techniques to predict the thermodynamic stability of complex structures,
  • Exploring novel dynamical simulation techniques to predict the rate at which novel structures form from a meta-stable parent phase,
  • Quantifying the disorder in granular packings, and
  • Coarse-grained modelling of bio-molecular systems.