3. Monte Carlo Simulations and the Photon Gas#

In this set of exercises, you will be briefly introduced to the concept of importance sampling and detailed balance in Monte Carlo simulations. You shall then apply the Metropolis Monte Carlo scheme to sample a photon gas and a Lennard-Jones system to obtain their respective energies from proper phase-space averages.

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🎯 Learning goals

Understand importance sampling

Learn importance of detailed balance

Apply the Metropolis Monte Carlo algorithm to calculate properties of a model gas

📖 Chapter in script

Chapter 3 - Monte Carlo Simulations

📚 Resources

Understanding Molecular Simulation, Frenkel & Smit, 2nd Edition - Chapter 3 & Chapter 5 (extra)

Computer Simulation of Liquids, Allen & Tildesley, 2nd Edition - Chapter 4