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Summarizes Generalized Gradient Approximations, Meta-GGAs, Hybrid functionals, First-Principles Molecular Dynamics, QM/MM simulations, and important features of Quantum Chemistry calculations.
Emphasizes the critical importance of understanding statistics to avoid errors in research and decision-making, using motivating examples and practical exercises.
Introduces descriptive statistics, uncertainty quantification, and variable relationships, emphasizing the importance of statistical interpretation and critical analysis.