Molecular dynamics: Integrating Newton's equations

This lecture covers the basics of molecular dynamics, focusing on integrating Newton's equations to make atoms move according to interatomic forces. It also discusses classical mechanics, Hamilton's equations, and the Hamiltonian. The lecture explores different integrators, such as Forward Euler and Velocity Verlet, and their implications in simulating materials. Additionally, it delves into thermal fluctuations, Debye-Waller factor, lattice vibrations, and perturbations in materials simulation. The instructor explains the concept of constant temperature, periodicity, and the modulation of diffraction peaks, as well as temperature ramps and melting processes.