Thursday, 2 September 2021

New Bayesian quantum algorithm directly calculates the energy difference of an atom and molecule

As newly reported by the journal Physical Chemistry Chemical Physics, researchers from the Graduate School of Science at Osaka City University have developed a quantum algorithm that can understand the electronic states of atomic or molecular systems by directly calculating the energy difference in their relevant states. Implemented as a Bayesian phase different estimation, the algorithm breaks from convention by not focusing on the difference in total energies calculated from the pre- and post-phase evolution, but by following the evolution of the energy difference itself.