I give an overview of a recent publication I worked on which presents a low-cost method to compute electron affinities, ionization potentials, and excitation energies.
I announce a new publication which explores the potential of linear scaling DFT for practical calculations.
I announce a new publication involving the development of new COVID-19 medicines.
The Lennard-Jones potential is a well studied model potential describing the interaction of molecules. In this post, I will explore parameterizing the Lennard-Jones potential using Quantum Chemistry calculations.
A year into the COVID-19 pandemic, I describe my new hobby of running, and why it is so much fun in Japan.