Julia Westermayr
University of Vienna
Institute of Theoretical Chemistry
Währinger Str. 17
1090 Vienna

+43 1 4277 52766
Focus Area
The focus of my work is the development of artificial neural network potentials and their implementation into our own ab-initio molecular dynamics program SHARC (Surface Hopping including ARbitrary Couplings). By running molecular dynamics with the SHARC program, we are currently investigating the first step of the underlying mechanism of dityrosine crosslinking.
Awards & Prizes
University of Vienna Uni:docs Fellowship
  1. J. Westermayr, M. Gastegger, M. Menger, S. Mai, L. González, P. Marquetand
    Machine learning enables long time scale molecular photodynamics simulations
    (submitted), (2018), arXiv:1811.09112 [physics.chem-ph]