A Roadmap for\nSimulating Chemical Dynamics on a Parametrically\nDriven Bosonic Quantum Device

Chemical reactions are commonly described by the reactive\nflux\ntransferring the population from reactants to products across a double-well\nfree energy barrier. Dynamics often involves barrier recrossing and\nquantum effects like tunneling, zero-point energy motion, and interference,\nwhich traditional rate theories, such as transition-state theory,\ndo not consider. In this study, we investigate the feasibility of\nsimulating reaction dynamics using a parametrically driven bosonic\nsuperconducting Kerr-cat device. This approach provides control over\nparameters defining the double-well free energy profile, as well as\nexternal factors like temperature and the coupling strength between\nthe reaction coordinate and the thermal bath of nonreactive degrees\nof freedom. We demonstrate the effectiveness of this protocol by showing\nthat the dynamics of proton-transfer reactions in prototypical benchmark\nmodel systems, such as hydrogen-bonded dimers of malonaldehyde and\nDNA base pairs, could be accurately simulated on the currently accessible\nKerr-cat devices.