Monte Carlo Simulations: Photon Gas & LJ Potential

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Monte Carlo Simulations

Covers Monte Carlo simulations, ensemble properties, and numerical integration techniques.

Sampling the Canonical Ensemble

Explores sampling the canonical ensemble, temperature fluctuations, extended Lagrangian, and Maxwell-Boltzmann distribution in molecular dynamics simulations.

Monte Carlo Simulations

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

Atomistic Computer Modelling of Materials: Simulating and Sampling

Covers simulating and sampling in atomistic computer modelling of materials.

Quantum to Classical Mechanics: Fundamentals

Covers the transition from quantum to classical mechanics, statistical mechanics, Monte Carlo simulations, and molecular dynamics simulations.

Canonical Ensemble: Probability Distribution

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

Markov Chain: Configuration Sampling

Introduces the concept of a Markov process and chain in configuration sampling.

Monte Carlo Moves in Simulation

Explores Monte Carlo moves in simulation, including trial moves and biased moves, comparing Monte Carlo with Molecular Dynamics.

Monte Carlo Simulation: Lennard-Jones Liquid

Covers the Monte Carlo simulation of a Lennard-Jones liquid.

Molecular dynamics under constraints

Explores molecular dynamics simulations under holonomic constraints, focusing on numerical integration and algorithm formulation.