Alex Gunasekera

alexander.gunasekera[at]balliol.ox.ac.uk

Alex Gunasekera works on spin-adapted coupled cluster methods for open-shell molecules in both high- and low-spin states. His research focuses on developing electronic structure methods that treat dynamic correlation on top of statically correlated reference wavefunctions. He developed an implementation of Lindgren’s normal-ordered exponential ansatz, termed NOECC, demonstrating that multi-determinantal coupled cluster methods can achieve accuracies comparable to standard CCSD in single-reference cases.

Before joining the Tew group through the TMCS Centre for Doctoral Training, Alex studied Natural Sciences at the University of Cambridge, where he worked on Non-Orthogonal Configuration Interaction under the supervision of Hugh Burton in the group of Alex Thom.