Molecular Dynamics and Monte Carlo: Computational Environment

This lecture introduces the computational environment for Molecular Dynamics and Monte Carlo exercises. The session covers grading, attendance, computer environment setup, bonus questions, and the importance of theoretical understanding over coding skills. Topics include statistics, Monte Carlo methods, statistical mechanics, molecular dynamics, and solvent models. Students will learn to use virtual environments, launch JupyterHub or Colab, and implement integrators. The exercises focus on numerical estimation, statistical approaches, and the example of forces from quantum to classical mechanics. The session also includes practical examples using Python and C++ for Monte Carlo simulations.