Extracting information on the microscopic dynamics from experimental dielectr spectra if often a daunting task and molecular dynamics
simulations can provide in this sens invaluable help, in particular when a direct comparison between measured and simulated spectra can be performed.
However, a large number of important relaxation processes, responsible for spectra peaks, originate from rare events, the presence of which can
severly limit the potential of molecular dynamics simulations. Up until now, only standard molecular dynamics simulations have been employed
to investigate dielectric spectra, and advanced methods such as "enhanced sampling techniques", which are more appropriate tool to address rare
events, have not yet made their way through the dielectric scientific community. Within this project we will fill gap by complementing classical
molecular dynamics simulations with metadynamics and parallel tempering in order to overcome the limitations.
In our studies we focus on the glassforming liquids glycerol and on ionic liquids.
