Python first, chemistry later

One of the goals of this course is for you to explore concepts and techniques used in computational chemistry research by writing your own Python code to solve various problems.

To do this we need to start by going through the basics of programming in Python.

For the first few weeks therefore we will be focussing almost entirely on the basics of programming in Python. Once you have had some practice writing, editing, and running pieces of Python code, we will move onto more complex programming concepts and start using these to explore some computational chemistry.