Computing Module 1

The first part of this module will introduce you to iterative algorithms and model movements over time. The second part of this module will take you through implementing the gradient descent method for a 1D potential energy surface. The third part of this module will introduce you to a second order method for local optimization.

Part A: Damped molecular dynamics
Part B: Gradient Descent with a One Dimensional Example
Part C: Newton's Method with a One Dimensional Example