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Explores the theory of electric polarization and orbital magnetization in condensed matter physics, focusing on quantum aspects and topological insulators.
Explores enhancing machine learning predictions by refining error metrics and applying constraints for improved accuracy in electron density predictions.
Explores variational principles in quantum mechanics, including sudden and adiabatic approximations, and their application to the time-dependent Schrödinger equation.
Explores quantum correlation functions and their role in molecular dynamics simulations, including the reconstruction of standard correlation functions from Kubo-transformed ones.
Summarizes Generalized Gradient Approximations, Meta-GGAs, Hybrid functionals, First-Principles Molecular Dynamics, QM/MM simulations, and important features of Quantum Chemistry calculations.
