Molecular Simulation
We are a small research group using simple models to capture complex phase behaviour and growth mechanisms relevant to colloidal crystals, minerals and nanomaterials. This involves computer programming, high performance computing and advanced simulation techniques interpreted via statistical data analysis methods.
Most recent publication
- Emergent B2 chemical orderings in the AlTiVNb and AlTiCrMo refractory high-entropy superalloys studied via first-principles theory and atomistic modelling - Hubert contributing Wang-Landau Monte Carlo simulations to identify phase transition temperatures.