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Quantum Diffusion in Liquids
This lecture covers the application of molecular dynamics to study quantum diffusion in liquids, focusing on the RPMD approximation and its comparison with classical methods. The instructor discusses the kinetic energies per atom in liquid para-hydrogen, the quantum diffusion coefficients of various water models, and the competing quantum effects in liquid water. Additionally, the vibrational spectrum of liquid water is explored through RPMD simulations at different temperatures. The lecture concludes with an overview of chemical reaction rates and mentions the upcoming lectures on ring polymer rate theory.