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 modeling multilayer 2D materials, tight-binding models, and electrical conductivity in materials, emphasizing the importance of symmetries and reduced models.
Explores the Thomas-Fermi model in Density Functional Theory, discussing electron-electron interaction approximation and challenges in expressing kinetic energy.
