Personal Blog

Positivity preserving density matrix minimization at finite temperatures via square root

I update you on a recent paper for finite temperature calculations and my recent fun in Baltimore.

Predicting potential SARS-CoV-2 mutations of concern via full quantum mechanical modelling

I share a paper I worked on about predicting virus mutations with Density Functional Theory and about my recent trip to Chiba.

Five Japanese Foods

As a break from the usual research, here are some good things I recommend to eat in Japan.

Protein–ligand interactions from a quantum fragmentation perspective: The case of the SARS-CoV-2 main protease interacting with α-ketoamide inhibitors

I announce a publication about applying our complexity reduction framework to the study of α-ketoamide inhibitors of SARS-CoV-2. I also do some travel blogging about Tromsø, Norway.

Reading Roundup - April 2023

Some papers and blog posts I recommend.