Joshua Black

Currently, my overriding goal is to implement internally-contracted multireference coupled-cluster theory (icMRCC) into the Molpro computational package using a fast framework of binary tensor contractions. In time, this will allow multireference coupled-cluster methods to move away from the hands of experts and towards the general computational chemistry community.

In between this project my research focuses on forming efficient icMRCC approximations and other methodological improvements, always with an eye towards chemically relevant calculations.