Hub news

Algorithm calculates bond energies for quantum chemistry
Four scientists stand talking at a whiteboard.
A team including researchers from National Quantum Computing Hub partner organisations has designed a new algorithm for quantum chemistry. The algorithm calculates electronic correlation energies in a way that could be implemented on noisy intermediate-scale quantum (NISQ) computers.

The researchers tested the quantum algorithm for four small molecules, H2, H3+, LiH and H4. They used up to 8 qubits to model the molecules on processors accessed via quantum cloud providers IBMQ and Amazon Braket. The team published their findings in the journal Quantum Science and Technology.

Pictured are co-authors (from left) Chee Chong Hian, Dimitris Angelakis and Daniel Leykam from the Centre for Quantum Technologies, and Adrian Mak from A*STAR’s Institute of High Performance Computing. Panagiotis Barkoutsos, then at IBM Quantum, is also a co-author.