MolTag PI Leticia González is the only Austrian based Researcher in the DFG funded Project. In her Group, MolTag Student Julia Westermayr works on the development of artificial neural network potentials and their implementation into the ab-initio molecular dynamics program SHARC (Surface Hopping including ARbitrary Couplings). By running molecular dynamics with the SHARC program, they are currently investigating the first step of the underlying mechanism of dityrosine crosslinking.
See here the current Research Newsletter of the University of Vienna (german)
DFG Project Website.
Recent (20.04.2020) first author publication by Julia Westermayr in J Phys Chem Lett.
