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Course

CH-351: Molecular dynamics and Monte-Carlo simulation

Summary

Introduction to molecular dynamics and Monte-Carlo simulation methods.

Lectures

Instructors

Official source

https://edu.epfl.ch/coursebook/en/molecular-dynamics-and-monte-carlo-simulation-CH-351

Moodle Page

http://go.epfl.ch/CH-351

About this result

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Summary

Introduction to molecular dynamics and Monte-Carlo simulation methods.

Lectures

Instructors

Official source

https://edu.epfl.ch/coursebook/en/molecular-dynamics-and-monte-carlo-simulation-CH-351

Moodle Page

http://go.epfl.ch/CH-351

About this result

Ontological neighbourhood

Physics

Thermodynamics: Statistical mechanics

Quantum mechanics: Mathematical formulation of quantum mechanics

Lectures in this course (27)

Statistical Thermodynamics: Boltzmann Distribution

Covers the Boltzmann distribution in statistical thermodynamics, focusing on the harmonic oscillator system and analyzing state occupancy with varying temperatures.

Molecular Dynamics and Monte Carlo

Covers computational methods for molecular systems at finite temperature, emphasizing stochastic sampling and time evolution simulations.

Monte Carlo Simulations: Photon Gas & LJ Potential

Covers importance sampling, detailed balance, and Metropolis Monte Carlo simulations in photon gas and LJ systems.

Molecular Dynamics Simulation: Trp-cage Miniprotein

Covers MD simulation of the Trp-cage miniprotein, focusing on implicit solvent modeling and practical analysis of simulation results.

Monte Carlo Simulations Log in to Mediaspace to watch this video

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

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