I give an overview of a recent publication I worked on which presents a low-cost method to compute electron affinities, ionization potentials, and excitation energies.

The Lennard-Jones potential is a well studied model potential describing the interaction of molecules. In this post, I will explore parameterizing the Lennard-Jones potential using Quantum Chemistry calculations.

A recent update to the gfortran program is breaking compiliation of many legacy software packages. I will describe the underlying cause and possible mitigation strategies.

py3Dmol is a convenient python model for visualizing molecules inside python notebooks. Here I will provide a tutorial for using py3Dmol, including some advanced features.

The ongoing COVID-19 pandemic provides some opportunity to explore discrete event modelling with python.