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Explores the trends and challenges in modeling complex molecular systems using hierarchical multi-scale approaches, covering length-time scales, atomistic simulations, and force matching techniques.
Covers the Jaynes-Cummings model, dispersive regime of cavity QED, atom passing through the cavity, and examples related to the birth, life, and death of a photon.
Summarizes Generalized Gradient Approximations, Meta-GGAs, Hybrid functionals, First-Principles Molecular Dynamics, QM/MM simulations, and important features of Quantum Chemistry calculations.
Explores various chemical bond types and interactions between atoms through electrons, emphasizing the significance of understanding these bond characteristics.
Explores quantum correlation functions and their role in molecular dynamics simulations, including the reconstruction of standard correlation functions from Kubo-transformed ones.
