Time has come for me to expand my horizons and skills. As I drift farther and farther away from my origins as an organic chemist and more an...

I had the opportunity to test G16 with Linda on my cluster. Suprisingly, I observed a decent reduction in computational time for geometry op...

I've got plenty of posts on how to compile nwchem on this blog. However, as I'm still running debian jessie on my work computers and...