- MD does not always apply
- Classical dynamics applies when a certain equation is met, basically the bond frequency has to be low enough. ADD ME LATER
- Based primarily on Newtons 2nd law F =ma. Integrating from acceleration (a) to velocity (v) to position (r) is used to solve for atom location as a function of time
- QM is too expensive to calculate with usually
- Expand a, v, and r in taylor series to compare time T to T+delta
- Verlet Algorithm
- Obtain by subtracting the two series
- Requires k and k-1, step to calculate k+1
- Half-step AKA Leapfrog
- Problems with verlet if timescale is too small
- Velocity is calculated halfway between position and vice versa
- Smaller errors, but never have both v and r at the same time making analysis complicated