Dr. Jutta Rogal
My project at NYU encompasses the application of enhanced sampling techniques to study phase transformations in solids, with a particular focus on interface properties and dynamics. The project is funded by the Alexander von Humboldt foundation. My group at the Ruhr University Bochum focuses on the development and application of atomistic simulation techniques on extended time scales. Materials systems that we study include Ni-base superalloys, high-temperature shape memory alloys and iron based materials. We are particularly interested in rare event dynamics, such as diffusion, phase boundary migration and nucleation during phase transformations.
Methods that are used in the group include electronic structure calculations (in combination with statistical thermodynamics), molecular dynamics simulations, (adaptive) kinetic Monte Carlo, Monte Carlo sampling techniques, and transition path sampling.