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publicationDate 2021-07-21-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber GB-2591101-A
titleOfInvention A method for identifying a valid energy state
abstract A method for identifying an excited energy state of a system of interacting electrons on a hybrid classical and quantum computer. The method identifies an excited energy state of a system (e.g. molecule) and applies a first parametrised quantum circuit (generator, 110) to a set of qubits 100 in an initial state of the system to provide a first set of parameters (theta) to generate valid states of the system; then applies a second parametrised quantum circuit (discriminator, 130) to the set of qubits to provide a second set of parameters (phi) providing thus an output representative of the extent of the overlap of the initial wavefunction with each of the known valid states; The method thus optimises the theta parameters to minimise the energy of the state and also minimises the extent of the overlap of the generated states by training the discriminator to optimise the phi parameters to discriminate between the initial wavefunction (generated by the generator) and each of the known valid states. The optimised theta parameters correspond to the excited energy of the system. The discriminator function may also be applied to an additional qubit in a known initial state (ancilla qubit 145).
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