The research in my (new) research group will focus on the numerical exploration of routes to design novel, self-assembling structures and materials. In particular, I am interested in the possibilities that bio-molecular recognition and motor action offer to create complex, nano-structured materials. The main aspects of the research are
- Develop novel Monte Carlo techniques to predict the thermodynamic stability of complex structures (e.g. cluster solids - fig 1).
- Explore novel dynamical simulation techniques to predict the rate at which novel structures form from a meta-stable parent phase (e.g. crystal nucleation - fig 2).
- Develop models for the self assembly of DNA-colloid constructs.
- Coarse-grained models for molecular motors.
Selected Publications
Local Structure of Liquid Carbon Controls Diamond Nucleation, Phys. Rev. Lett. 2007, 99, 055702
Translocation boosts efficiency of double-barreled chaperonins, Biophys. Journal 2006, 90, 3375-3381
Waste Recycling Monte Carlo, Condensed Matter: From Materials to Chemical Biology, Editors: M. Ferrario, G. Ciccotti and K. Binder, p127-138. Springer, Berlin, 2006
Colloidal crystals: Plenty of room at the top, Nature Materials 2006, 5, 85-86