Japanese Researchers Develop Algorithm Enabling Quantum Chemistry on Quantum Computers

(Phys.org) Researchers from Osaka City University (OCU) in Japan, have found a novel quantum algorithm enabling us to perform full configuration interaction (Full-CI) calculations suitable for “chemical reactions.” Full-CI calculations are potentially capable of predicting chemical reactions. The researchers of the current study report a new Full-CI approach implemented on quantum computers for the first time.
The OCU group explained, “This is the first example of a practical quantum algorithm that makes quantum chemical calculations for predicting chemical reaction pathways realizable on quantum computers equipped with a sizable number of qubits. The implementation empowers practical applications of quantum chemical calculations on quantum computers in many important fields of chemistry and materials science.”