Programming for chemistry

The course introduces students to imperative programming by referring to the Python language. The course is divided in two parts: the first presents Python and its object-oriented features, the second focuses on libraries that can be useful in scientific computation and data analysis, in particular NumPy and SciPy

Students will acquire the ability to write and tune a program that automatizes simple computational tasks. They will be able to understand how a small piece of Python code works, to find the reasons of a malfunction and to correct it appropriately. Moreover, students will be able to use the NumPy and SciPy library to solve common numerical problems in physical-chemistry.