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CH-351: Molecular dynamics and Monte-Carlo simulation

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Lectures in this course (27)

Statistical Mechanics: Microscopic-Macroscopic Systems

Explores the link between microscopic and macroscopic systems, ensembles, probability distributions, entropy, and energy distribution.

Monte Carlo Simulations Log in to Mediaspace to watch this video

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

Molecular Dynamics Basics Log in to Mediaspace to watch this video

Covers the fundamentals of Molecular Dynamics, including the Ergodic Hypothesis, force fields, and periodic boundary conditions.

Molecular Dynamics Simulations: Energy Conservation

Explores energy conservation in Hamiltonian systems, numerical integration, time step choices, and constraint algorithms in molecular dynamics simulations.

Classical Molecular Dynamics Simulations Log in to Mediaspace to watch this video

Covers classical force fields, molecular dynamics simulations, and supramolecular properties, including intramolecular and intermolecular interactions.

Protein Folding Simulations Log in to Mediaspace to watch this video

Covers theory and practical applications of protein folding simulations using molecular dynamics, focusing on solvent effects and analysis of folding dynamics.

Molecular Dynamics Basics

Covers the basics of Molecular Dynamics, including Verlet integrator and periodic boundary conditions.

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