Research Group Rogal
Sampling Structural Phase Transformations in Condensed Matter Systems
PD Dr. Jutta Rogal
A key challenge in the design of complex materials with specific target properties is the accurate description of atomistic processes up to experimentally relevant timescales. With our research, we focus on obtaining atomistic insight into mechanisms and kinetics of structural phase transformations in molecular and atomic condensed matter systems. This includes the theoretical investigation of the initial stages of nucleation and growth, precipitate formation, and interface dynamics.
To capture such complex phenomena with atomistic resolution and over extended timescales necessitates the further development of advanced atomistic simulation and enhanced sampling schemes for high-dimensional energy landscapes. Here, a focus is on dimensionality reduction and the identification of low-dimensional reaction coordinates in combination with machine learning approaches.
The research group is funded by Heisenberg Program and is associated with New York University.