Integration Algorithms for Molecular Dynamics: Verlet Algorithm

This lecture covers integration algorithms for Molecular Dynamics, focusing on the Verlet algorithm. It explains the Position Verlet method, Velocities with Verlet, Leap-frog Verlet, and Velocity Verlet. The lecture details the advantages of the Position Verlet algorithm and discusses the accuracy and order of the velocity calculations. Examples, such as the Harmonic oscillator, are used to illustrate the concepts. Additionally, the Leap-frog Verlet method is explained, showing its equivalence to the Position Verlet algorithm. The Velocity Verlet algorithm is also presented, highlighting its sequence and equivalence with the Position Verlet method.