Computational Lab 1

Lab 1 will continue to introduce you to python programming language. The second part of this lab will introduce you to iterative algorithms and model movements over time. The third part of this lab will take you through implementing the gradient descent method for a 1D potential energy surface. The fourth part of this lab will introduce you to a second order method for local optimization.

Part A: More Python tools!
Part B: Damped molecular dynamics
Part C: Gradient Descent with a One Dimensional Example
Part D: Newton's Method with a One Dimensional Example