Complexity Reduction in Density Functional Theory: Locality in Space and Energy

I announce a publication I worked on in our series on Complexity Reduction. I provide a teaser for the paper results using a magic trick related to eigenvalues.



Reading Roundup - April 2023

Some papers and blog posts I recommend.



French Coffee

After my recent trip to France, I have some thoughts and experiments about how to brew a "un café".



Experimental–theoretical study of laccase as a detoxifier of aflatoxins

I share a publication I worked on where we studied the Laccase enzyme for bioremediation application.



Probing the mutational landscape of the SARS-CoV-2 spike protein via quantum mechanical modeling of crystallographic structures

I announce a publication I worked on about studying mutations of the SARS-CoV-2 spike protein and describe some tools for studying mutations.