Ralf Wanzenböck

PhD Student in P09
Institute of Materials Chemistry
TU Wien
Getreidemarkt 9/165-TC
1060 Vienna, Austria

Research plans

During the course of my PhD within the TACO project I will combine evolutionary strategies and machine learning to efficiently search for stable surface structures of various chemical compounds. To this end I utilize density functional theory to generate training data for a neural network potential. An early focus will be put on uncertainty estimation to reliably assess the quality of the neural network potential in real time. In the spirit of TACO I have already started collaborating with the group of Ulrike Diebold (P02) on investigating SrTiO3 surfaces and am looking forward to further cooperation.