Recovering dynamical properties: Path Integral Methods

This lecture covers the use of Path Integral Methods in Atomistic Modeling, focusing on Generalized Langevin Equation (GLE) Methods. The instructor explains the deconvolution of GLE spectra to predict and extract unperturbed dynamical properties from thermostatted Molecular Dynamics (MD). The lecture also discusses the application of deconvolution to quantum thermostat and quantum dynamics, as well as to PIGLET simulations. The main takeaway is the ability to recover approximate dynamical properties from GLE dynamics, including GLE-accelerated quantum dynamics, showcasing the extreme flexibility of the GLE framework.