Lecture
Quantum Correlation Functions
Description
This lecture covers quantum mechanical correlation functions, Kubo-transformed correlation functions, and their applications in molecular dynamics simulations. The instructor explains how to relate dynamical properties of thermal equilibrium systems to real-time correlation functions, and how to reconstruct standard correlation functions from Kubo-transformed ones. The lecture also discusses the calculation of diffusion coefficients, dipole absorption spectra, and chemical reaction rate coefficients using correlation functions. The presentation emphasizes the classical nature of certain correlation functions and their approximations in Ring Polymer Molecular Dynamics (RPMD).
In MOOCs (2)
Path Integral Methods in Atomistic Modelling
The course provides an introduction to the use of path integral methods in atomistic simulations.
The path integral formalism allows to introduce quantum mechanical effects on the equilibrium and (ap
Path Integral Methods in Atomistic Modelling
The course provides an introduction to the use of path integral methods in atomistic simulations.
The path integral formalism allows to introduce quantum mechanical effects on the equilibrium and (ap
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