I am pleased to announce that the journal cover from my first, first author paper has been released in this month’s issue of Inorganic Chemistry Frontiers! In this study, we use a combination of density functional theory (DFT), machine learning (ML), and topological data analysis (TDA) for a high-throughput screening of 181k high-valent Fe(IV)-oxos forContinue reading “Announcement: First Journal Cover!”
Tag Archives: Quantum Mechanics
A Brief Overview of What I do
This is a short description of what I do as a theoretical and computational chemist. I wanted this blog to be to the point. The heavy mathematical details and jargon are omitted. This blog is dedicated to my cousin and fellow blogger, Denny McBride (1970-2020) My laboratory does not look like one you would probablyContinue reading “A Brief Overview of What I do”
Open Molecular Science Cloud (OMSC)
A short blog post about my trip to Italy in September 2019. During the summer of 2019, having just finished my first year of my PhD program, I wanted to expand my horizons and my network. I applied and received a travel grant through the Molecular Software Science Institute (MolSSI) to attend the Open MolecularContinue reading “Open Molecular Science Cloud (OMSC)”
Grier Jones 