Lecture
Classical Mechanics and Molecular Dynamics
Description
This lecture covers the fundamental principles of classical mechanics applied to molecular dynamics simulations. It explains the integration of equations of motion using numerical methods like the forward Euler and velocity Verlet integrators. The lecture also delves into the concept of constant-temperature simulations and the use of Langevin dynamics for simulating thermal equilibrium. Additionally, it explores the melting point calculations for aluminum through a melt-and-quench simulation, highlighting the limitations and observations in the simulation results.
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