BigDFT Webinar

On November twelfth, we will be hosting a webinar about the BigDFT code entitled The Flexibilities of Wavelets for Electronic Structure Calculations in Large Systems.



My Article in The Sankei News

An article I wrote for The Sankei News called "The Appeal of Chemistry You Can Do At Home" has been published.



Legacy Software and gfortran-10

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.



Using py3Dmol

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.



Playing with Pandemic Models

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