Ring Polymer Molecular Dynamics

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Cosmological Puzzles: Dark Matter and Energy

Explores fundamental cosmological puzzles related to dark matter and energy.

Mechanics: System of Point Masses

Introduces mechanics concepts for systems of point masses, including moment of forces and kinetic energy conservation.

Quantum Correlation Functions

Explores quantum correlation functions and their role in molecular dynamics simulations, including the reconstruction of standard correlation functions from Kubo-transformed ones.

Canonical Ensemble: Probability Distribution

Explores the probability distribution in the canonical ensemble and the Boltzmann distribution.

Monte Carlo Simulations

Covers the theory and practical aspects of Monte Carlo simulations in molecular dynamics, including ensemble averages and Metropolis algorithm.

Ensembles and Partition Functions

Covers ensembles, partition functions, and distributions in statistical thermodynamics.

Efficiency of Sampling: Ergodicity and Autocorrelation Functions

Explores the efficiency of sampling in molecular dynamics, focusing on ergodicity and autocorrelation functions.

Quantum to Classical Mechanics: MD & MC Simulations

Covers Molecular Dynamics and Monte Carlo Simulations, transitioning from Quantum to Classical Mechanics in computational chemistry.

Heterogeneous Catalysis: Kinetics and Mechanisms

Explores heterogeneous catalysis, focusing on reaction mechanisms, kinetics, and ammonia synthesis.