Principal Investigator:
Sandro Jahn
, Institute of Geology and Mineralogy, University of Cologne (Germany)
HPC Platform used:
JUWELS of JSC
Local Project ID:
chpo15
Geological processes are generally quite complex and occur under a wide range of thermodynamic conditions. The structure and the properties of crystalline and non-crystalline phases in the Earth’s interior are often not accessible directly and must be investigated by experiments and by numerical simulations. In this project, we use predictive molecular simulation approaches to establish relations between structural properties of relevant phases, in particular oxide and silicate glasses and melts and aqueous fluids, at high temperatures and high pressures and their respective thermodynamic and physical properties.
