BASF predicts chemical reactivity using quantum algorithms

BASF and HQS Quantum Simulations, both German companies, collaborates in quantum chemistry for prediction of chemical reactivity.

They used the hybrid quantum-classical variational quantum eigensolver algorithm in combination with the unitary coupled-cluster ansatz (UCCSD-VQE) that could provide accurate results before the dawn of error-tolerant quantum computing. They studied the accuracy of the obtained energies for nine small molecular systems as well as for four exemplary chemical reactions by comparing to well-established electronic structure methods. (BASF)

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