Check out the group’s work on Quantum Computing!

Congratulations to Archith! His work on developing a hybrid quantum-classical framework integrating Multiconfigurational Self-Consistent Field (MCSCF) with the Variational Quantum Eigensolver (VQE) just appeared in the Journal of Physical Chemistry A. The framework is used to compute binding energies of transition metals (Fe, Co, Ni) on both pristine and defective graphene analogues.